3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran

C21H18O2 — CID 170175004

IUPAC3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran
SMILESCOc1ccccc1-c1cc2oc3ccccc3c2c(C)c1C
InChIInChI=1S/C21H18O2/c1-13-14(2)21-16-9-5-7-11-19(16)23-20(21)12-17(13)15-8-4-6-10-18(15)22-3/h4-12H,1-3H3
InChIKeyQMRCNTURKMTDAQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.88
Rot. Bonds2

About 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran

3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran (PubChem CID 170175004) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran
PubChem CID170175004
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran
SMILESCOc1ccccc1-c1cc2oc3ccccc3c2c(C)c1C
InChIInChI=1S/C21H18O2/c1-13-14(2)21-16-9-5-7-11-19(16)23-20(21)12-17(13)15-8-4-6-10-18(15)22-3/h4-12H,1-3H3
InChIKeyQMRCNTURKMTDAQ-UHFFFAOYSA-N
XLogP5.88
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethoxy-4-methyldibenzofuran
CID 86106843
6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
CID 135259598
3-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676169
1,2-dimethyl-3-phenylxanthen-9-one
CID 10732980
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
4-dibenzofuran-1-yl-2-methoxybenzaldehyde
CID 22566659
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347086
16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
CID 146383205
5,16-dimethoxy-9,20-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene
CID 53382046
1,2-dimethoxy-3-methylxanthen-9-one
CID 174891108
3-methoxydibenzofuran-1,4-diamine
CID 68825275

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran?
The IUPAC name of 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran (CID 170175004) is 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran.
What is the SMILES notation for 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran?
The canonical SMILES for 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran is COc1ccccc1-c1cc2oc3ccccc3c2c(C)c1C.
What is the InChIKey of 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran?
The InChIKey is QMRCNTURKMTDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-13-14(2)21-16-9-5-7-11-19(16)23-20(21)12-17(13)15-8-4-6-10-18(15)22-3/h4-12H,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran?
3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran has a molecular weight of 302.37 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran is sourced from PubChem (CID 170175004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).