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

C16H12BrClO3 — CID 114723297

IUPAC(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol
SMILESCOc1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1Br
InChIInChI=1S/C16H12BrClO3/c1-20-14-4-2-9(7-12(14)17)16(19)15-8-10-6-11(18)3-5-13(10)21-15/h2-8,16,19H,1H3
InChIKeyDNEPQFSVRIEIMG-UHFFFAOYSA-N
MW367.63 g/mol
LogP4.94
Rot. Bonds3

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

(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol (PubChem CID 114723297) has the molecular formula C16H12BrClO3 and a molecular weight of 367.63 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol
PubChem CID114723297
Molecular FormulaC16H12BrClO3
Molecular Weight367.63 g/mol
Exact Mass365.97
IUPAC Name(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol
SMILESCOc1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1Br
InChIInChI=1S/C16H12BrClO3/c1-20-14-4-2-9(7-12(14)17)16(19)15-8-10-6-11(18)3-5-13(10)21-15/h2-8,16,19H,1H3
InChIKeyDNEPQFSVRIEIMG-UHFFFAOYSA-N
XLogP4.94
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
CID 114723930
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114724822
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 115836547
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol (CID 114723297) is (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol is COc1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is DNEPQFSVRIEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClO3/c1-20-14-4-2-9(7-12(14)17)16(19)15-8-10-6-11(18)3-5-13(10)21-15/h2-8,16,19H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol?
(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol has a molecular weight of 367.63 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).