(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol

C16H15ClO3 — CID 63743010

IUPAC(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESCOc1ccc(C(O)c2ccc3c(c2)COC3)cc1Cl
InChIInChI=1S/C16H15ClO3/c1-19-15-5-4-11(7-14(15)17)16(18)10-2-3-12-8-20-9-13(12)6-10/h2-7,16,18H,8-9H2,1H3
InChIKeyKBUPTNMSNXIAIT-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.46
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol

(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol (PubChem CID 63743010) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
PubChem CID63743010
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESCOc1ccc(C(O)c2ccc3c(c2)COC3)cc1Cl
InChIInChI=1S/C16H15ClO3/c1-19-15-5-4-11(7-14(15)17)16(18)10-2-3-12-8-20-9-13(12)6-10/h2-7,16,18H,8-9H2,1H3
InChIKeyKBUPTNMSNXIAIT-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020619
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
(2-chlorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63021648
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567
1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
CID 63019025
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol (CID 63743010) is (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol is COc1ccc(C(O)c2ccc3c(c2)COC3)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The InChIKey is KBUPTNMSNXIAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-15-5-4-11(7-14(15)17)16(18)10-2-3-12-8-20-9-13(12)6-10/h2-7,16,18H,8-9H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol has a molecular weight of 290.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol is sourced from PubChem (CID 63743010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).