1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol

C17H15ClO2 — CID 114726389

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C17H15ClO2/c1-11-4-2-5-12(8-11)9-15(19)16-10-13-6-3-7-14(18)17(13)20-16/h2-8,10,15,19H,9H2,1H3
InChIKeyJAGXXLFBCFKWLO-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.67
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol

1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol (PubChem CID 114726389) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
PubChem CID114726389
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C17H15ClO2/c1-11-4-2-5-12(8-11)9-15(19)16-10-13-6-3-7-14(18)17(13)20-16/h2-8,10,15,19H,9H2,1H3
InChIKeyJAGXXLFBCFKWLO-UHFFFAOYSA-N
XLogP4.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208993
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115837599
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
CID 114726335
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
CID 105130466
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol (CID 114726389) is 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol?
The InChIKey is JAGXXLFBCFKWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-11-4-2-5-12(8-11)9-15(19)16-10-13-6-3-7-14(18)17(13)20-16/h2-8,10,15,19H,9H2,1H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol?
1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol has a molecular weight of 286.76 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 114726389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).