(5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol

C18H15ClO2 — CID 114726521

IUPAC(5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H15ClO2/c19-14-6-7-15-12(10-14)11-16(21-15)17(20)18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11,17,20H,8-9H2
InChIKeyVLPRHMVHFQMTBM-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.85
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol

(5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol (PubChem CID 114726521) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol
PubChem CID114726521
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H15ClO2/c19-14-6-7-15-12(10-14)11-16(21-15)17(20)18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11,17,20H,8-9H2
InChIKeyVLPRHMVHFQMTBM-UHFFFAOYSA-N
XLogP4.85
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol 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

[1-benzofuran-2-yl-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217239
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol
CID 114854613
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol
CID 105394462
(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 103129244
(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 81044939
(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 115836547
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol (CID 114726521) is (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol is OC(c1cc2cc(Cl)ccc2o1)C1(c2ccccc2)CC1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol?
The InChIKey is VLPRHMVHFQMTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO2/c19-14-6-7-15-12(10-14)11-16(21-15)17(20)18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11,17,20H,8-9H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol has a molecular weight of 298.77 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanol is sourced from PubChem (CID 114726521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).