(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol

C19H24O — CID 143461732

IUPAC(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H24O/c1-3-17(13-12-16(2)20)19(14-8-5-9-15-19)18-10-6-4-7-11-18/h3-4,6-7,10-13,20H,2,5,8-9,14-15H2,1H3/b13-12-,17-3+
InChIKeyNSDBUWSRRAMWTO-AYEHTEFMSA-N
MW268.40 g/mol
LogP5.46
Rot. Bonds4

About (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol

(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol (PubChem CID 143461732) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol
PubChem CID143461732
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H24O/c1-3-17(13-12-16(2)20)19(14-8-5-9-15-19)18-10-6-4-7-11-18/h3-4,6-7,10-13,20H,2,5,8-9,14-15H2,1H3/b13-12-,17-3+
InChIKeyNSDBUWSRRAMWTO-AYEHTEFMSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-en-2-yl]-1-phenylcycloheptane;ethane;(Z)-prop-1-ene-1,2-diol
CID 143134277
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
(1-hexa-1,5-dien-2-ylcyclohexyl)benzene
CID 143134347
N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine
CID 130330510
3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one
CID 68911149
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
[1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene
CID 142142830
2-imino-1-(1-phenylcyclohexyl)ethanone
CID 90858515
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
ethane;1-phenylcyclohexan-1-ol
CID 144640846

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol?
The IUPAC name of (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol (CID 143461732) is (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol?
The canonical SMILES for (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C/C)C1(c2ccccc2)CCCCC1.
What is the InChIKey of (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol?
The InChIKey is NSDBUWSRRAMWTO-AYEHTEFMSA-N. The full InChI is InChI=1S/C19H24O/c1-3-17(13-12-16(2)20)19(14-8-5-9-15-19)18-10-6-4-7-11-18/h3-4,6-7,10-13,20H,2,5,8-9,14-15H2,1H3/b13-12-,17-3+.
What are the key properties of (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol?
(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol has a molecular weight of 268.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol is sourced from PubChem (CID 143461732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).