(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol

C16H12Cl2O3 — CID 115837576

IUPAC(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H12Cl2O3/c1-20-13-6-5-10(17)8-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8,15,19H,1H3
InChIKeyJNVUASKJFNIPEQ-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.83
Rot. Bonds3

About (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol

(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol (PubChem CID 115837576) has the molecular formula C16H12Cl2O3 and a molecular weight of 323.18 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
PubChem CID115837576
Molecular FormulaC16H12Cl2O3
Molecular Weight323.18 g/mol
Exact Mass322.02
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H12Cl2O3/c1-20-13-6-5-10(17)8-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8,15,19H,1H3
InChIKeyJNVUASKJFNIPEQ-UHFFFAOYSA-N
XLogP4.83
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723276
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(5-chloro-2-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanol
CID 103348234
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol (CID 115837576) is (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol is COc1ccc(Cl)cc1C(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol?
The InChIKey is JNVUASKJFNIPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O3/c1-20-13-6-5-10(17)8-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8,15,19H,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol has a molecular weight of 323.18 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol is sourced from PubChem (CID 115837576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).