(E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol

C18H26O3S — CID 15358136

IUPAC(E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol
SMILESCc1ccc(S(=O)(=O)/C=C/CCC(O)C2CCCCC2)cc1
InChIInChI=1S/C18H26O3S/c1-15-10-12-17(13-11-15)22(20,21)14-6-5-9-18(19)16-7-3-2-4-8-16/h6,10-14,16,18-19H,2-5,7-9H2,1H3/b14-6+
InChIKeyDNFLVOZHMNEATJ-MKMNVTDBSA-N
MW322.47 g/mol
LogP4.00
Rot. Bonds6

About (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol

(E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol (PubChem CID 15358136) has the molecular formula C18H26O3S and a molecular weight of 322.47 g/mol. Its IUPAC name is (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol
PubChem CID15358136
Molecular FormulaC18H26O3S
Molecular Weight322.47 g/mol
Exact Mass322.16
IUPAC Name(E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol
SMILESCc1ccc(S(=O)(=O)/C=C/CCC(O)C2CCCCC2)cc1
InChIInChI=1S/C18H26O3S/c1-15-10-12-17(13-11-15)22(20,21)14-6-5-9-18(19)16-7-3-2-4-8-16/h6,10-14,16,18-19H,2-5,7-9H2,1H3/b14-6+
InChIKeyDNFLVOZHMNEATJ-MKMNVTDBSA-N
XLogP4.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15358133
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1-[(E)-hex-1-enyl]sulfonyl-4-methylbenzene
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(E,3S)-1-(4-methylphenyl)sulfonylhex-1-en-3-ol
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CID 10928938
CID 10928938
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
(3-cyclohexyl-3-phenylpropyl) 4-methylbenzenesulfonate
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1-[(R)-cyclohexyl(isocyano)methyl]sulfonyl-4-methylbenzene
CID 98042614
[3-hydroxy-3-(1-phosphanylpyrrolidin-3-yl)propyl] 4-methylbenzenesulfonate
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(E,1S)-1-cyclopentyl-3-methylsulfonylprop-2-en-1-amine;4-methylbenzenesulfonic acid
CID 176508732

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol?
The IUPAC name of (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol (CID 15358136) is (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol.
What is the SMILES notation for (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol?
The canonical SMILES for (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol is Cc1ccc(S(=O)(=O)/C=C/CCC(O)C2CCCCC2)cc1.
What is the InChIKey of (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol?
The InChIKey is DNFLVOZHMNEATJ-MKMNVTDBSA-N. The full InChI is InChI=1S/C18H26O3S/c1-15-10-12-17(13-11-15)22(20,21)14-6-5-9-18(19)16-7-3-2-4-8-16/h6,10-14,16,18-19H,2-5,7-9H2,1H3/b14-6+.
What are the key properties of (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol?
(E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol has a molecular weight of 322.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol is sourced from PubChem (CID 15358136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).