(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol

C12H10BrClO2S — CID 105119649

IUPAC(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol
SMILESCOc1ccc(Br)c(C(O)c2ccc(Cl)s2)c1
InChIInChI=1S/C12H10BrClO2S/c1-16-7-2-3-9(13)8(6-7)12(15)10-4-5-11(14)17-10/h2-6,12,15H,1H3
InChIKeyFDHDBSPGJBCYJV-UHFFFAOYSA-N
MW333.63 g/mol
LogP4.25
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol

(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol (PubChem CID 105119649) has the molecular formula C12H10BrClO2S and a molecular weight of 333.63 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol
PubChem CID105119649
Molecular FormulaC12H10BrClO2S
Molecular Weight333.63 g/mol
Exact Mass331.93
IUPAC Name(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol
SMILESCOc1ccc(Br)c(C(O)c2ccc(Cl)s2)c1
InChIInChI=1S/C12H10BrClO2S/c1-16-7-2-3-9(13)8(6-7)12(15)10-4-5-11(14)17-10/h2-6,12,15H,1H3
InChIKeyFDHDBSPGJBCYJV-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.63
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanol
CID 62278042
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106765154
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(5-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 113370055
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol (CID 105119649) is (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol is COc1ccc(Br)c(C(O)c2ccc(Cl)s2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol?
The InChIKey is FDHDBSPGJBCYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO2S/c1-16-7-2-3-9(13)8(6-7)12(15)10-4-5-11(14)17-10/h2-6,12,15H,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol?
(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol has a molecular weight of 333.63 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 105119649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).