(2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol

C16H22O — CID 101250929

IUPAC(2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol
SMILESC/C(CCc1ccccc1)=C1/CCCCC1O
InChIInChI=1S/C16H22O/c1-13(15-9-5-6-10-16(15)17)11-12-14-7-3-2-4-8-14/h2-4,7-8,16-17H,5-6,9-12H2,1H3/b15-13+
InChIKeyPXQBQJYIZNUNMP-FYWRMAATSA-N
MW230.35 g/mol
LogP3.87
Rot. Bonds3

About (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol

(2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol (PubChem CID 101250929) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol.

Molecular Properties

Compound Name(2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol
PubChem CID101250929
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol
SMILESC/C(CCc1ccccc1)=C1/CCCCC1O
InChIInChI=1S/C16H22O/c1-13(15-9-5-6-10-16(15)17)11-12-14-7-3-2-4-8-14/h2-4,7-8,16-17H,5-6,9-12H2,1H3/b15-13+
InChIKeyPXQBQJYIZNUNMP-FYWRMAATSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol?
The IUPAC name of (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol (CID 101250929) is (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol.
What is the SMILES notation for (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol?
The canonical SMILES for (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol is C/C(CCc1ccccc1)=C1/CCCCC1O.
What is the InChIKey of (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol?
The InChIKey is PXQBQJYIZNUNMP-FYWRMAATSA-N. The full InChI is InChI=1S/C16H22O/c1-13(15-9-5-6-10-16(15)17)11-12-14-7-3-2-4-8-14/h2-4,7-8,16-17H,5-6,9-12H2,1H3/b15-13+.
What are the key properties of (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol?
(2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4-phenylbutan-2-ylidene)cyclohexan-1-ol is sourced from PubChem (CID 101250929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).