(3-bromophenyl)-(3-methylsulfanylphenyl)methanol

C14H13BrOS — CID 91657590

IUPAC(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
SMILESCSc1cccc(C(O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrOS/c1-17-13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10/h2-9,14,16H,1H3
InChIKeySHLVZRRTBWUDAA-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.25
Rot. Bonds3

About (3-bromophenyl)-(3-methylsulfanylphenyl)methanol

(3-bromophenyl)-(3-methylsulfanylphenyl)methanol (PubChem CID 91657590) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is (3-bromophenyl)-(3-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
PubChem CID91657590
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
SMILESCSc1cccc(C(O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrOS/c1-17-13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10/h2-9,14,16H,1H3
InChIKeySHLVZRRTBWUDAA-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-methylsulfanylbenzene
CID 2735627
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
1-bromo-3-(3-methylsulfanylphenyl)benzene
CID 15661513
2,2-dichloro-1-(3-methylsulfanylphenyl)ethanol
CID 164892104
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099273
(1S)-1-(3-methylsulfanylphenyl)butan-1-ol
CID 97293427
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541
(1R)-1-(3-methylsulfanylphenyl)butan-1-ol
CID 97293428
(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
CID 97056034
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-methylsulfanylphenyl)methanol?
The IUPAC name of (3-bromophenyl)-(3-methylsulfanylphenyl)methanol (CID 91657590) is (3-bromophenyl)-(3-methylsulfanylphenyl)methanol.
What is the SMILES notation for (3-bromophenyl)-(3-methylsulfanylphenyl)methanol?
The canonical SMILES for (3-bromophenyl)-(3-methylsulfanylphenyl)methanol is CSc1cccc(C(O)c2cccc(Br)c2)c1.
What is the InChIKey of (3-bromophenyl)-(3-methylsulfanylphenyl)methanol?
The InChIKey is SHLVZRRTBWUDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-17-13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10/h2-9,14,16H,1H3.
What are the key properties of (3-bromophenyl)-(3-methylsulfanylphenyl)methanol?
(3-bromophenyl)-(3-methylsulfanylphenyl)methanol has a molecular weight of 309.23 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(3-methylsulfanylphenyl)methanol is sourced from PubChem (CID 91657590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).