[4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol

C13H13ClO4S — CID 18683751

IUPAC[4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol
SMILESOC(c1ccc(-c2ccc(Cl)cc2)cc1)S(O)(O)O
InChIInChI=1S/C13H13ClO4S/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)19(16,17)18/h1-8,13,15-18H
InChIKeyWCHWGJWMSGVXGQ-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.22
Rot. Bonds3

About [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol

[4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol (PubChem CID 18683751) has the molecular formula C13H13ClO4S and a molecular weight of 300.76 g/mol. Its IUPAC name is [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol
PubChem CID18683751
Molecular FormulaC13H13ClO4S
Molecular Weight300.76 g/mol
Exact Mass300.02
IUPAC Name[4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol
SMILESOC(c1ccc(-c2ccc(Cl)cc2)cc1)S(O)(O)O
InChIInChI=1S/C13H13ClO4S/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)19(16,17)18/h1-8,13,15-18H
InChIKeyWCHWGJWMSGVXGQ-UHFFFAOYSA-N
XLogP4.22
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)phenyl]-2-hydroxyacetic acid
CID 19793104
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
(4-chlorophenyl)-fluoromethanol
CID 174952192
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol
CID 15054140
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029
1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
CID 170894784
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624
(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595568

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol?
The IUPAC name of [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol (CID 18683751) is [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol.
What is the SMILES notation for [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol?
The canonical SMILES for [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol is OC(c1ccc(-c2ccc(Cl)cc2)cc1)S(O)(O)O.
What is the InChIKey of [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol?
The InChIKey is WCHWGJWMSGVXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO4S/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)19(16,17)18/h1-8,13,15-18H.
What are the key properties of [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol?
[4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol has a molecular weight of 300.76 g/mol, XLogP of 4.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)phenyl]-(trihydroxy-λ4-sulfanyl)methanol is sourced from PubChem (CID 18683751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).