[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol

C16H13ClO3 — CID 12535905

IUPAC[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)oc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClO3/c1-19-12-5-2-10(3-6-12)16-13-8-11(17)4-7-14(13)20-15(16)9-18/h2-8,18H,9H2,1H3
InChIKeyRBVJYVCNUSBTLW-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.25
Rot. Bonds3

About [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol

[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol (PubChem CID 12535905) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
PubChem CID12535905
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)oc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClO3/c1-19-12-5-2-10(3-6-12)16-13-8-11(17)4-7-14(13)20-15(16)9-18/h2-8,18H,9H2,1H3
InChIKeyRBVJYVCNUSBTLW-UHFFFAOYSA-N
XLogP4.25
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate
CID 139660117
3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
CID 177459326
7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
CID 139260247
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260397
6-chloro-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-methylchromen-2-one
CID 3563283
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
CID 154079625
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol?
The IUPAC name of [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol (CID 12535905) is [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol?
The canonical SMILES for [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol is COc1ccc(-c2c(CO)oc3ccc(Cl)cc23)cc1.
What is the InChIKey of [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol?
The InChIKey is RBVJYVCNUSBTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-19-12-5-2-10(3-6-12)16-13-8-11(17)4-7-14(13)20-15(16)9-18/h2-8,18H,9H2,1H3.
What are the key properties of [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol?
[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol has a molecular weight of 288.73 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 12535905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).