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

C23H19ClO3 — CID 3067862

IUPAC1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol
SMILESCOc1cccc2cc(C(O)(Cc3ccccc3)c3ccc(Cl)cc3)oc12
InChIInChI=1S/C23H19ClO3/c1-26-20-9-5-8-17-14-21(27-22(17)20)23(25,15-16-6-3-2-4-7-16)18-10-12-19(24)13-11-18/h2-14,25H,15H2,1H3
InChIKeyPQTPKSFIMIGKQG-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.57
Rot. Bonds5

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

1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol (PubChem CID 3067862) has the molecular formula C23H19ClO3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol
PubChem CID3067862
Molecular FormulaC23H19ClO3
Molecular Weight378.86 g/mol
Exact Mass378.10
IUPAC Name1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol
SMILESCOc1cccc2cc(C(O)(Cc3ccccc3)c3ccc(Cl)cc3)oc12
InChIInChI=1S/C23H19ClO3/c1-26-20-9-5-8-17-14-21(27-22(17)20)23(25,15-16-6-3-2-4-7-16)18-10-12-19(24)13-11-18/h2-14,25H,15H2,1H3
InChIKeyPQTPKSFIMIGKQG-UHFFFAOYSA-N
XLogP5.57
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol (CID 3067862) is 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol is COc1cccc2cc(C(O)(Cc3ccccc3)c3ccc(Cl)cc3)oc12.
What is the InChIKey of 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol?
The InChIKey is PQTPKSFIMIGKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO3/c1-26-20-9-5-8-17-14-21(27-22(17)20)23(25,15-16-6-3-2-4-7-16)18-10-12-19(24)13-11-18/h2-14,25H,15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol?
1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol has a molecular weight of 378.86 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol is sourced from PubChem (CID 3067862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).