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

C16H12BrClO3 — CID 114723276

IUPAC(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol
SMILESCOc1ccc(Br)cc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H12BrClO3/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
InChIKeyWFERPFHZEPIGCY-UHFFFAOYSA-N
MW367.63 g/mol
LogP4.94
Rot. Bonds3

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

(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol (PubChem CID 114723276) has the molecular formula C16H12BrClO3 and a molecular weight of 367.63 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol
PubChem CID114723276
Molecular FormulaC16H12BrClO3
Molecular Weight367.63 g/mol
Exact Mass365.97
IUPAC Name(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol
SMILESCOc1ccc(Br)cc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H12BrClO3/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
InChIKeyWFERPFHZEPIGCY-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

(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
CID 103210037
(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
CID 114723288

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol (CID 114723276) is (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol is COc1ccc(Br)cc1C(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is WFERPFHZEPIGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClO3/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 (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol?
(5-bromo-2-methoxyphenyl)-(7-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 (5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).