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

C16H14BrClO3 — CID 62199956

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14BrClO3/c1-20-16-12(7-11(18)8-13(16)17)15(19)10-2-3-14-9(6-10)4-5-21-14/h2-3,6-8,15,19H,4-5H2,1H3
InChIKeyGVPSIRLNLBDGKD-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.13
Rot. Bonds3

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

(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 62199956) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID62199956
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14BrClO3/c1-20-16-12(7-11(18)8-13(16)17)15(19)10-2-3-14-9(6-10)4-5-21-14/h2-3,6-8,15,19H,4-5H2,1H3
InChIKeyGVPSIRLNLBDGKD-UHFFFAOYSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465
(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 104817396
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 65278850
(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 137498556

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 62199956) is (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is COc1c(Br)cc(Cl)cc1C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is GVPSIRLNLBDGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-20-16-12(7-11(18)8-13(16)17)15(19)10-2-3-14-9(6-10)4-5-21-14/h2-3,6-8,15,19H,4-5H2,1H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 369.64 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 62199956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).