1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol

C16H13ClO2 — CID 107103499

IUPAC1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
SMILESCc1c(Cl)cccc1C(O)c1cc2ccccc2o1
InChIInChI=1S/C16H13ClO2/c1-10-12(6-4-7-13(10)17)16(18)15-9-11-5-2-3-8-14(11)19-15/h2-9,16,18H,1H3
InChIKeyHJMITALLKNYIBR-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.48
Rot. Bonds2

About 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol

1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol (PubChem CID 107103499) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
PubChem CID107103499
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
SMILESCc1c(Cl)cccc1C(O)c1cc2ccccc2o1
InChIInChI=1S/C16H13ClO2/c1-10-12(6-4-7-13(10)17)16(18)15-9-11-5-2-3-8-14(11)19-15/h2-9,16,18H,1H3
InChIKeyHJMITALLKNYIBR-UHFFFAOYSA-N
XLogP4.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
1-benzofuran-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 114724178
1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol
CID 105128840
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805523
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
1-benzofuran-2-yl-(2-cyclopropylphenyl)methanol
CID 114724251
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
1-benzofuran-2-yl(thiophen-2-yl)methanol
CID 63090596
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol (CID 107103499) is 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol is Cc1c(Cl)cccc1C(O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol?
The InChIKey is HJMITALLKNYIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-12(6-4-7-13(10)17)16(18)15-9-11-5-2-3-8-14(11)19-15/h2-9,16,18H,1H3.
What are the key properties of 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol?
1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol has a molecular weight of 272.73 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 107103499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).