(4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol

C16H13ClO3 — CID 3067863

IUPAC(4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol
SMILESCOc1cccc2cc(C(O)c3ccc(Cl)cc3)oc12
InChIInChI=1S/C16H13ClO3/c1-19-13-4-2-3-11-9-14(20-16(11)13)15(18)10-5-7-12(17)8-6-10/h2-9,15,18H,1H3
InChIKeyBZOIBOMFRASZLR-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.18
Rot. Bonds3

About (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol

(4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol (PubChem CID 3067863) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol
PubChem CID3067863
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol
SMILESCOc1cccc2cc(C(O)c3ccc(Cl)cc3)oc12
InChIInChI=1S/C16H13ClO3/c1-19-13-4-2-3-11-9-14(20-16(11)13)15(18)10-5-7-12(17)8-6-10/h2-9,15,18H,1H3
InChIKeyBZOIBOMFRASZLR-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Clobenfurol
CID 71132
[5-(4-Chlorophenyl)-2-furyl]methanol
CID 738660
2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol
CID 25131510
Homoegonol
CID 176929
4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
CID 14352596
4,6-Dimethoxydibenzofuran
CID 458263
(4E,6E,10Z)-1-(1-benzofuran-2-yl)-4-methyl-11-(3,4,5-trimethoxyphenyl)undeca-4,6,10-trien-1-ol
CID 9912204
4-Dibenzofuranol, 6,7,8,9-tetrahydro-
CID 3045305
4-Dibenzofuranol
CID 3015051
(7-Methoxy-1-benzofuran-2-yl)(4-methoxyphenyl)methanone
CID 1480055
1-(7-(4-Chlorobenzyloxy)-6-hydroxy-4-methoxybenzofuran-5-yl)ethanone
CID 11638803
5-Acetyl-4-(4''-chloro)benzyloxy-6-hydroxy-7-methoxybenzofuran
CID 11695929

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol (CID 3067863) is (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol is COc1cccc2cc(C(O)c3ccc(Cl)cc3)oc12.
What is the InChIKey of (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol?
The InChIKey is BZOIBOMFRASZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-19-13-4-2-3-11-9-14(20-16(11)13)15(18)10-5-7-12(17)8-6-10/h2-9,15,18H,1H3.
What are the key properties of (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol?
(4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol has a molecular weight of 288.73 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 3067863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).