2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene

C136H172N6O3S3 — CID 161026696

IUPAC2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene
SMILESCCCN1c2ccccc2C(C)C1C.CCCn1cc(C)c(C)c1.CCCn1cc(C)c(C)n1.CCCn1ccc(C)c1C.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cocc1C.Cc1cscc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C
InChIInChI=1S/C14H14.C13H19N.2C12H12.C10H10O.C10H10S.2C9H15N.C8H14N2.C8H10.C7H9N.2C6H8O.2C6H8S/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-4-9-14-11(3)10(2)12-7-5-6-8-13(12)14;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-8-11-5-3-4-6-12(11)10(9)2;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-4-6-10-7-5-8(2)9(10)3;1-4-5-10-6-8(2)9(3)7-10;1-4-5-10-6-7(2)8(3)9-10;1-7-5-3-4-6-8(7)2;1-6-4-3-5-8-7(6)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2/h3-10H,1-2H3;5-8,10-11H,4,9H2,1-3H3;2*3-8H,1-2H3;2*3-6H,1-2H3;5,7H,4,6H2,1-3H3;6-7H,4-5H2,1-3H3;6H,4-5H2,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4*3-4H,1-2H3
InChIKeyTZBNJTWDWNRCPP-UHFFFAOYSA-N
MW2035.11 g/mol
LogP40.32
Rot. Bonds9

About 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene

2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene (PubChem CID 161026696) has the molecular formula C136H172N6O3S3 and a molecular weight of 2035.11 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene.

Molecular Properties

Compound Name2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene
PubChem CID161026696
Molecular FormulaC136H172N6O3S3
Molecular Weight2035.11 g/mol
Exact Mass2033.27
IUPAC Name2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene
SMILESCCCN1c2ccccc2C(C)C1C.CCCn1cc(C)c(C)c1.CCCn1cc(C)c(C)n1.CCCn1ccc(C)c1C.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cocc1C.Cc1cscc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C
InChIInChI=1S/C14H14.C13H19N.2C12H12.C10H10O.C10H10S.2C9H15N.C8H14N2.C8H10.C7H9N.2C6H8O.2C6H8S/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-4-9-14-11(3)10(2)12-7-5-6-8-13(12)14;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-8-11-5-3-4-6-12(11)10(9)2;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-4-6-10-7-5-8(2)9(10)3;1-4-5-10-6-8(2)9(3)7-10;1-4-5-10-6-7(2)8(3)9-10;1-7-5-3-4-6-8(7)2;1-6-4-3-5-8-7(6)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2/h3-10H,1-2H3;5-8,10-11H,4,9H2,1-3H3;2*3-8H,1-2H3;2*3-6H,1-2H3;5,7H,4,6H2,1-3H3;6-7H,4-5H2,1-3H3;6H,4-5H2,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4*3-4H,1-2H3
InChIKeyTZBNJTWDWNRCPP-UHFFFAOYSA-N
XLogP40.32
TPSA83.23 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002035.11
LogP ≤ 540.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
Bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane
CID 167631421
8-[[6-([1]Benzothiolo[3,2-c]pyridin-8-yloxymethyl)-2,8-bis[4-[(4-carbazol-9-yl-2-pyridinyl)methyl]-2,6-dimethylphenyl]dibenzofuran-4-yl]methoxy]-[1]benzothiolo[3,2-c]pyridine
CID 58501578
CID 59358404
CID 59358404
CID 59358486
CID 59358486
CID 59358495
CID 59358495
CID 59358611
CID 59358611
CID 59359121
CID 59359121
CID 59359335
CID 59359335
8-Dibenzofuran-2-yl-5-[3-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251052
2-[2-[8-[3-(1-Benzothiophen-2-yl)-5-[5-[3-(1-benzothiophen-2-yl)-5-[3-[3-(furan-2-yl)-5-methylphenyl]-6-[6-(furan-3-yl)-4-methyl-2-pyridinyl]carbazol-9-yl]phenyl]thiophen-2-yl]phenyl]dibenzothiophen-1-yl]phenyl]-1,3,4-thiadiazole
CID 117836025
22-(3-Dibenzofuran-4-ylphenyl)-31-dibenzothiophen-3-yl-13-(4-methoxyphenyl)-25-pyridin-4-yl-13,22,31-triazaoctacyclo[15.14.0.02,14.03,12.06,11.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23(28),24,26-tetradecaene
CID 118473606

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene?
The IUPAC name of 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene (CID 161026696) is 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene.
What is the SMILES notation for 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene?
The canonical SMILES for 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene is CCCN1c2ccccc2C(C)C1C.CCCn1cc(C)c(C)c1.CCCn1cc(C)c(C)n1.CCCn1ccc(C)c1C.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cocc1C.Cc1cscc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C.
What is the InChIKey of 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene?
The InChIKey is TZBNJTWDWNRCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C13H19N.2C12H12.C10H10O.C10H10S.2C9H15N.C8H14N2.C8H10.C7H9N.2C6H8O.2C6H8S/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-4-9-14-11(3)10(2)12-7-5-6-8-13(12)14;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-8-11-5-3-4-6-12(11)10(9)2;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-4-6-10-7-5-8(2)9(10)3;1-4-5-10-6-8(2)9(3)7-10;1-4-5-10-6-7(2)8(3)9-10;1-7-5-3-4-6-8(7)2;1-6-4-3-5-8-7(6)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2/h3-10H,1-2H3;5-8,10-11H,4,9H2,1-3H3;2*3-8H,1-2H3;2*3-6H,1-2H3;5,7H,4,6H2,1-3H3;6-7H,4-5H2,1-3H3;6H,4-5H2,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4*3-4H,1-2H3.
What are the key properties of 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene?
2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene has a molecular weight of 2035.11 g/mol, XLogP of 40.32, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethyl-1-propyl-2,3-dihydroindole;3,4-dimethyl-1-propylpyrazole;2,3-dimethyl-1-propylpyrrole;3,4-dimethyl-1-propylpyrrole;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2-xylene is sourced from PubChem (CID 161026696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).