2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol

C18H16O2 — CID 114722939

IUPAC2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
SMILESCc1cccc2cc(C3(O)Cc4ccccc4C3)oc12
InChIInChI=1S/C18H16O2/c1-12-5-4-8-13-9-16(20-17(12)13)18(19)10-14-6-2-3-7-15(14)11-18/h2-9,19H,10-11H2,1H3
InChIKeyMXABFAWCSTXQNH-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.73
Rot. Bonds1

About 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol

2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol (PubChem CID 114722939) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
PubChem CID114722939
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
SMILESCc1cccc2cc(C3(O)Cc4ccccc4C3)oc12
InChIInChI=1S/C18H16O2/c1-12-5-4-8-13-9-16(20-17(12)13)18(19)10-14-6-2-3-7-15(14)11-18/h2-9,19H,10-11H2,1H3
InChIKeyMXABFAWCSTXQNH-UHFFFAOYSA-N
XLogP3.73
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
CID 114724058
8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
CID 114819752
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
CID 114723809
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
CID 114724418
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114723887
2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
CID 114722942
2,3-dihydro-1H-inden-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114726715
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
2-(2,3-dimethylphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62549374

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol (CID 114722939) is 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol is Cc1cccc2cc(C3(O)Cc4ccccc4C3)oc12.
What is the InChIKey of 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol?
The InChIKey is MXABFAWCSTXQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12-5-4-8-13-9-16(20-17(12)13)18(19)10-14-6-2-3-7-15(14)11-18/h2-9,19H,10-11H2,1H3.
What are the key properties of 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol?
2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol has a molecular weight of 264.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 114722939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).