7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol

C19H18Cl2O2 — CID 14570895

IUPAC7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2oc(Cc3ccc(Cl)cc3)c(C)c2c1O
InChIInChI=1S/C19H18Cl2O2/c1-3-4-13-10-15(21)19-17(18(13)22)11(2)16(23-19)9-12-5-7-14(20)8-6-12/h5-8,10,22H,3-4,9H2,1-2H3
InChIKeyKBYLYZYSBMPRGR-UHFFFAOYSA-N
MW349.26 g/mol
LogP6.30
Rot. Bonds4

About 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol

7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol (PubChem CID 14570895) has the molecular formula C19H18Cl2O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol
PubChem CID14570895
Molecular FormulaC19H18Cl2O2
Molecular Weight349.26 g/mol
Exact Mass348.07
IUPAC Name7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2oc(Cc3ccc(Cl)cc3)c(C)c2c1O
InChIInChI=1S/C19H18Cl2O2/c1-3-4-13-10-15(21)19-17(18(13)22)11(2)16(23-19)9-12-5-7-14(20)8-6-12/h5-8,10,22H,3-4,9H2,1-2H3
InChIKeyKBYLYZYSBMPRGR-UHFFFAOYSA-N
XLogP6.30
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol 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 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol?
The IUPAC name of 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol (CID 14570895) is 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol.
What is the SMILES notation for 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol?
The canonical SMILES for 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol is CCCc1cc(Cl)c2oc(Cc3ccc(Cl)cc3)c(C)c2c1O.
What is the InChIKey of 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol?
The InChIKey is KBYLYZYSBMPRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O2/c1-3-4-13-10-15(21)19-17(18(13)22)11(2)16(23-19)9-12-5-7-14(20)8-6-12/h5-8,10,22H,3-4,9H2,1-2H3.
What are the key properties of 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol?
7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol has a molecular weight of 349.26 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-chlorophenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).