1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene

C90H107F4NOS — CID 157393415

IUPAC1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene
SMILESCC.CC.CC1=CC=C(C)C1.Cc1c(F)c(F)c(C)c(F)c1F.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccccc1C.c1ccncc1
InChIInChI=1S/C14H14.2C12H12.C8H6F4.2C8H10.C7H10.C6H8O.C6H8S.C5H5N.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-3-5(9)7(11)4(2)8(12)6(3)10;1-7-3-5-8(2)6-4-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;2*1-2/h3-10H,1-2H3;2*3-8H,1-2H3;1-2H3;2*3-6H,1-2H3;3-4H,5H2,1-2H3;2*3-4H,1-2H3;1-5H;2*1-2H3
InChIKeyBMHAMGFQUBUIMF-UHFFFAOYSA-N
MW1326.91 g/mol
LogP28.03
Rot. Bonds1

About 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene

1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene (PubChem CID 157393415) has the molecular formula C90H107F4NOS and a molecular weight of 1326.91 g/mol. Its IUPAC name is 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene.

Molecular Properties

Compound Name1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene
PubChem CID157393415
Molecular FormulaC90H107F4NOS
Molecular Weight1326.91 g/mol
Exact Mass1325.80
IUPAC Name1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene
SMILESCC.CC.CC1=CC=C(C)C1.Cc1c(F)c(F)c(C)c(F)c1F.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccccc1C.c1ccncc1
InChIInChI=1S/C14H14.2C12H12.C8H6F4.2C8H10.C7H10.C6H8O.C6H8S.C5H5N.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-3-5(9)7(11)4(2)8(12)6(3)10;1-7-3-5-8(2)6-4-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;2*1-2/h3-10H,1-2H3;2*3-8H,1-2H3;1-2H3;2*3-6H,1-2H3;3-4H,5H2,1-2H3;2*3-4H,1-2H3;1-5H;2*1-2H3
InChIKeyBMHAMGFQUBUIMF-UHFFFAOYSA-N
XLogP28.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001326.91
LogP ≤ 528.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-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

4-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583654
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
4,4,4-Trifluoro-1-(furan-2-yl)butane-1,3-dione;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione;4,4,4-trifluoro-1-phenylbutane-1,3-dione;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
CID 157475025
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
1,4-Difluoro-2,5-dimethylbenzene;4,7-dimethyl-1-benzothiophene;1,4-dimethyldibenzofuran;5,8-dimethylisoquinoline;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;1,3-xylene;1,4-xylene
CID 160324263
2-[6-(5-Cyclohexylthiophen-2-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037966
2-[7-Fluoro-3-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051332
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167358048
2-(6-Dibenzothiophen-2-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167358203
1-(7-Tert-butyl-8-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3-methyl-1-benzothiophen-2-yl)isoquinolin-2-ium
CID 169033846
6-(1-Benzothiophen-2-yl)-1-[8-fluoro-2,3-dimethyl-7-(trifluoromethyl)dibenzofuran-4-yl]-2-methylisoquinolin-2-ium
CID 169033866
6-(1-Benzothiophen-2-yl)-1-[8-fluoro-2-methyl-7-(trifluoromethyl)dibenzofuran-4-yl]isoquinoline
CID 170219860

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene?
The IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene (CID 157393415) is 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene.
What is the SMILES notation for 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene?
The canonical SMILES for 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene is CC.CC.CC1=CC=C(C)C1.Cc1c(F)c(F)c(C)c(F)c1F.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccccc1C.c1ccncc1.
What is the InChIKey of 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene?
The InChIKey is BMHAMGFQUBUIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.2C12H12.C8H6F4.2C8H10.C7H10.C6H8O.C6H8S.C5H5N.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-3-5(9)7(11)4(2)8(12)6(3)10;1-7-3-5-8(2)6-4-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;2*1-2/h3-10H,1-2H3;2*3-8H,1-2H3;1-2H3;2*3-6H,1-2H3;3-4H,5H2,1-2H3;2*3-4H,1-2H3;1-5H;2*1-2H3.
What are the key properties of 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene?
1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene has a molecular weight of 1326.91 g/mol, XLogP of 28.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene is sourced from PubChem (CID 157393415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).