(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol

C15H15BrO4S — CID 61100814

IUPAC(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(S(C)(=O)=O)cc2)cc1Br
InChIInChI=1S/C15H15BrO4S/c1-20-14-8-5-11(9-13(14)16)15(17)10-3-6-12(7-4-10)21(2,18)19/h3-9,15,17H,1-2H3
InChIKeyQGOVSOKTCUATSR-UHFFFAOYSA-N
MW371.25 g/mol
LogP2.94
Rot. Bonds4

About (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol

(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol (PubChem CID 61100814) has the molecular formula C15H15BrO4S and a molecular weight of 371.25 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol
PubChem CID61100814
Molecular FormulaC15H15BrO4S
Molecular Weight371.25 g/mol
Exact Mass369.99
IUPAC Name(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(S(C)(=O)=O)cc2)cc1Br
InChIInChI=1S/C15H15BrO4S/c1-20-14-8-5-11(9-13(14)16)15(17)10-3-6-12(7-4-10)21(2,18)19/h3-9,15,17H,1-2H3
InChIKeyQGOVSOKTCUATSR-UHFFFAOYSA-N
XLogP2.94
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
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(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
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(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
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(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
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(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
3-bromo-4-methoxybenzenesulfonic acid;hydrochloride
CID 174435857
methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
CID 62214467
2-(3-bromo-4-methoxyphenyl)-2-(methanesulfonamido)acetic acid
CID 146092817
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444992
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol (CID 61100814) is (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol is COc1ccc(C(O)c2ccc(S(C)(=O)=O)cc2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol?
The InChIKey is QGOVSOKTCUATSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO4S/c1-20-14-8-5-11(9-13(14)16)15(17)10-3-6-12(7-4-10)21(2,18)19/h3-9,15,17H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol?
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol has a molecular weight of 371.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 61100814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).