(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol

C19H18O2 — CID 114724253

IUPAC(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3cccc(C4CC4)c3)oc12
InChIInChI=1S/C19H18O2/c1-12-4-2-7-16-11-17(21-19(12)16)18(20)15-6-3-5-14(10-15)13-8-9-13/h2-7,10-11,13,18,20H,8-9H2,1H3
InChIKeyMBCQJRRTHUEWCV-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.70
Rot. Bonds3

About (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol

(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114724253) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID114724253
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3cccc(C4CC4)c3)oc12
InChIInChI=1S/C19H18O2/c1-12-4-2-7-16-11-17(21-19(12)16)18(20)15-6-3-5-14(10-15)13-8-9-13/h2-7,10-11,13,18,20H,8-9H2,1H3
InChIKeyMBCQJRRTHUEWCV-UHFFFAOYSA-N
XLogP4.70
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724257
(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
CID 114724261
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437
(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512296
(3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724166
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838981

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol (CID 114724253) is (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol is Cc1cccc2cc(C(O)c3cccc(C4CC4)c3)oc12.
What is the InChIKey of (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is MBCQJRRTHUEWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-12-4-2-7-16-11-17(21-19(12)16)18(20)15-6-3-5-14(10-15)13-8-9-13/h2-7,10-11,13,18,20H,8-9H2,1H3.
What are the key properties of (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 278.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).