5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid

C17H22O3 — CID 71390062

IUPAC5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid
SMILESO=C(O)C=CCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H22O3/c18-16(19)12-7-13-17(20,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,7-9,12,15,20H,2,5-6,10-11,13H2,(H,18,19)
InChIKeyDNZXKXVUWIVEDO-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.49
Rot. Bonds5

About 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid

5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid (PubChem CID 71390062) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid.

Molecular Properties

Compound Name5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid
PubChem CID71390062
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid
SMILESO=C(O)C=CCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H22O3/c18-16(19)12-7-13-17(20,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,7-9,12,15,20H,2,5-6,10-11,13H2,(H,18,19)
InChIKeyDNZXKXVUWIVEDO-UHFFFAOYSA-N
XLogP3.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
1-cyclohexyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 129318825
1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol
CID 156850348
(E)-1-cyclohexyl-1-phenyl-3-triethylsilylpent-3-en-1-ol
CID 135061732
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 139079570
3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 82049889

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid?
The IUPAC name of 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid (CID 71390062) is 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid.
What is the SMILES notation for 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid?
The canonical SMILES for 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid is O=C(O)C=CCC(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid?
The InChIKey is DNZXKXVUWIVEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c18-16(19)12-7-13-17(20,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,7-9,12,15,20H,2,5-6,10-11,13H2,(H,18,19).
What are the key properties of 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid?
5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid has a molecular weight of 274.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid is sourced from PubChem (CID 71390062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).