[4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol

C19H20O3S — CID 10426661

IUPAC[4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(CO)cc3)CCC2)cc1
InChIInChI=1S/C19H20O3S/c1-23(21,22)17-11-9-16(10-12-17)19-4-2-3-18(19)15-7-5-14(13-20)6-8-15/h5-12,20H,2-4,13H2,1H3
InChIKeyUJLUSLDRZONCSO-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.68
Rot. Bonds4

About [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol

[4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol (PubChem CID 10426661) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol
PubChem CID10426661
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name[4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(CO)cc3)CCC2)cc1
InChIInChI=1S/C19H20O3S/c1-23(21,22)17-11-9-16(10-12-17)19-4-2-3-18(19)15-7-5-14(13-20)6-8-15/h5-12,20H,2-4,13H2,1H3
InChIKeyUJLUSLDRZONCSO-UHFFFAOYSA-N
XLogP3.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol?
The IUPAC name of [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol (CID 10426661) is [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol is CS(=O)(=O)c1ccc(C2=C(c3ccc(CO)cc3)CCC2)cc1.
What is the InChIKey of [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol?
The InChIKey is UJLUSLDRZONCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S/c1-23(21,22)17-11-9-16(10-12-17)19-4-2-3-18(19)15-7-5-14(13-20)6-8-15/h5-12,20H,2-4,13H2,1H3.
What are the key properties of [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol?
[4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol has a molecular weight of 328.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]phenyl]methanol is sourced from PubChem (CID 10426661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).