(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol

C16H22O — CID 134954711

IUPAC(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
SMILESC=C(C[C@@H](O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12H2/t16-/m1/s1
InChIKeySJAYISLNCIZJRP-MRXNPFEDSA-N
MW230.35 g/mol
LogP4.25
Rot. Bonds4

About (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol

(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol (PubChem CID 134954711) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
PubChem CID134954711
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
SMILESC=C(C[C@@H](O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12H2/t16-/m1/s1
InChIKeySJAYISLNCIZJRP-MRXNPFEDSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
CID 10540298
2-cyclopentyl-1-phenylethanol
CID 15629098
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
CID 2398315
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
CID 10643161
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol
CID 10683740

Frequently Asked Questions

What is the IUPAC name of (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol?
The IUPAC name of (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol (CID 134954711) is (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol is C=C(C[C@@H](O)c1ccccc1)C1CCCCC1.
What is the InChIKey of (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol?
The InChIKey is SJAYISLNCIZJRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12H2/t16-/m1/s1.
What are the key properties of (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol?
(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol has a molecular weight of 230.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 134954711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).