(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol

C14H13BrOS — CID 97056034

IUPAC(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc([C@@H](O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H13BrOS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3/t14-/m0/s1
InChIKeyYHJGPYVOQNNAEP-AWEZNQCLSA-N
MW309.23 g/mol
LogP4.25
Rot. Bonds3

About (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol

(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol (PubChem CID 97056034) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
PubChem CID97056034
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc([C@@H](O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H13BrOS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3/t14-/m0/s1
InChIKeyYHJGPYVOQNNAEP-AWEZNQCLSA-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

p-Bromobenzhydryl alcohol
CID 98221
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
4-Fluoro-4'-(methylthio)benzhydrol
CID 2759039
(r)-(4-Bromophenyl)(phenyl)methanol
CID 778573
1-(4-Phenylsulfanylphenyl)ethanol
CID 238613
4,4'-Dibromobenzhydrol
CID 520429
(1R)-1-[4-(phenylsulfanyl)phenyl]ethan-1-ol
CID 63812905
(1S)-1-(4-(phenylsulfanyl)phenyl)ethan-1-ol
CID 78951886
(1S)-1-(4-bromophenyl)-2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]ethanol
CID 135031379
(1S)-1-(4-bromophenyl)-2,2-difluoro-2-(phenylsulfonimidoyl)ethanol
CID 135070765
3-(4-Bromophenyl)-1-phenylpropan-1-ol
CID 56925694
(S)-(4-bromophenyl)(phenyl)methanol
CID 778571

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol (CID 97056034) is (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol is CSc1ccc([C@@H](O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is YHJGPYVOQNNAEP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3/t14-/m0/s1.
What are the key properties of (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol?
(R)-(4-bromophenyl)-(4-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 (R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 97056034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).