1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol

C18H17ClO2 — CID 115837599

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C18H17ClO2/c1-11-6-7-12(2)14(8-11)9-16(20)17-10-13-4-3-5-15(19)18(13)21-17/h3-8,10,16,20H,9H2,1-2H3
InChIKeyQRJVQNBSXLOMLP-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.98
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol

1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 115837599) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
PubChem CID115837599
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C18H17ClO2/c1-11-6-7-12(2)14(8-11)9-16(20)17-10-13-4-3-5-15(19)18(13)21-17/h3-8,10,16,20H,9H2,1-2H3
InChIKeyQRJVQNBSXLOMLP-UHFFFAOYSA-N
XLogP4.98
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
CID 63411264
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
CID 105130466
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208993
1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 64916180

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol (CID 115837599) is 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(CC(O)c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is QRJVQNBSXLOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-11-6-7-12(2)14(8-11)9-16(20)17-10-13-4-3-5-15(19)18(13)21-17/h3-8,10,16,20H,9H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol?
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol has a molecular weight of 300.79 g/mol, XLogP of 4.98, 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-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 115837599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).