(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol

C16H15ClO2 — CID 115838948

IUPAC(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESCc1cc(Cl)cc(C(O)c2cccc3c2OCC3)c1
InChIInChI=1S/C16H15ClO2/c1-10-7-12(9-13(17)8-10)15(18)14-4-2-3-11-5-6-19-16(11)14/h2-4,7-9,15,18H,5-6H2,1H3
InChIKeyULBXEVHHQBEXMQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.67
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol

(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol (PubChem CID 115838948) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
PubChem CID115838948
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESCc1cc(Cl)cc(C(O)c2cccc3c2OCC3)c1
InChIInChI=1S/C16H15ClO2/c1-10-7-12(9-13(17)8-10)15(18)14-4-2-3-11-5-6-19-16(11)14/h2-4,7-9,15,18H,5-6H2,1H3
InChIKeyULBXEVHHQBEXMQ-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-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

(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743283
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
7-[bromo-(3-chloro-5-methylphenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544026
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol
CID 114743236

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol (CID 115838948) is (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol is Cc1cc(Cl)cc(C(O)c2cccc3c2OCC3)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The InChIKey is ULBXEVHHQBEXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-7-12(9-13(17)8-10)15(18)14-4-2-3-11-5-6-19-16(11)14/h2-4,7-9,15,18H,5-6H2,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol has a molecular weight of 274.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol is sourced from PubChem (CID 115838948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).