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

C16H12Cl2O3 — CID 114723930

IUPAC(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1Cl
InChIInChI=1S/C16H12Cl2O3/c1-20-14-4-2-9(7-12(14)18)16(19)15-8-10-6-11(17)3-5-13(10)21-15/h2-8,16,19H,1H3
InChIKeyUGRMENNNRXYDIB-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.83
Rot. Bonds3

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

(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol (PubChem CID 114723930) has the molecular formula C16H12Cl2O3 and a molecular weight of 323.18 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
PubChem CID114723930
Molecular FormulaC16H12Cl2O3
Molecular Weight323.18 g/mol
Exact Mass322.02
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1Cl
InChIInChI=1S/C16H12Cl2O3/c1-20-14-4-2-9(7-12(14)18)16(19)15-8-10-6-11(17)3-5-13(10)21-15/h2-8,16,19H,1H3
InChIKeyUGRMENNNRXYDIB-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

(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114723297
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol (CID 114723930) is (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1Cl.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol?
The InChIKey is UGRMENNNRXYDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O3/c1-20-14-4-2-9(7-12(14)18)16(19)15-8-10-6-11(17)3-5-13(10)21-15/h2-8,16,19H,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-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 (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 114723930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).