(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol

C18H15ClO2 — CID 114724261

IUPAC(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
SMILESOC(c1ccc(C2CC2)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C18H15ClO2/c19-15-3-1-2-14-10-16(21-18(14)15)17(20)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-11,17,20H,4-5H2
InChIKeyUXYBCAKWNVOULW-UHFFFAOYSA-N
MW298.77 g/mol
LogP5.05
Rot. Bonds3

About (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol

(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol (PubChem CID 114724261) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
PubChem CID114724261
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
SMILESOC(c1ccc(C2CC2)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C18H15ClO2/c19-15-3-1-2-14-10-16(21-18(14)15)17(20)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-11,17,20H,4-5H2
InChIKeyUXYBCAKWNVOULW-UHFFFAOYSA-N
XLogP5.05
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837587
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
CID 114723288
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol (CID 114724261) is (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol is OC(c1ccc(C2CC2)cc1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol?
The InChIKey is UXYBCAKWNVOULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO2/c19-15-3-1-2-14-10-16(21-18(14)15)17(20)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-11,17,20H,4-5H2.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol has a molecular weight of 298.77 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol is sourced from PubChem (CID 114724261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).