1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol

C19H24O3S — CID 132600200

IUPAC1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol
SMILESCC(C)=C=C(C(O)C1=CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24O3S/c1-14(2)13-18(19(20)16-7-5-4-6-8-16)23(21,22)17-11-9-15(3)10-12-17/h7,9-12,19-20H,4-6,8H2,1-3H3
InChIKeySLFCEBBMXQAUBY-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.08
Rot. Bonds4

About 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol

1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol (PubChem CID 132600200) has the molecular formula C19H24O3S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol
PubChem CID132600200
Molecular FormulaC19H24O3S
Molecular Weight332.47 g/mol
Exact Mass332.14
IUPAC Name1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol
SMILESCC(C)=C=C(C(O)C1=CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24O3S/c1-14(2)13-18(19(20)16-7-5-4-6-8-16)23(21,22)17-11-9-15(3)10-12-17/h7,9-12,19-20H,4-6,8H2,1-3H3
InChIKeySLFCEBBMXQAUBY-UHFFFAOYSA-N
XLogP4.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 57149515
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
CID 134942172
ethyl 3-(cyclohexen-1-yl)-2,2-difluoro-3-(4-methylphenyl)sulfonyloxypropanoate
CID 139987823
cyclohexen-1-ylmethanediol
CID 21392290
ethyl 4-[(1E)-cycloocten-1-yl]-5-(4-methylphenyl)pentanoate
CID 10471732
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 55034413
1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol
CID 106657597
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
CID 106657002
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol (CID 132600200) is 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol is CC(C)=C=C(C(O)C1=CCCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol?
The InChIKey is SLFCEBBMXQAUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3S/c1-14(2)13-18(19(20)16-7-5-4-6-8-16)23(21,22)17-11-9-15(3)10-12-17/h7,9-12,19-20H,4-6,8H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol?
1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol has a molecular weight of 332.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol is sourced from PubChem (CID 132600200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).