1-(4-propan-2-ylphenyl)pent-4-en-2-ol

C14H20O — CID 116659906

IUPAC1-(4-propan-2-ylphenyl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20O/c1-4-5-14(15)10-12-6-8-13(9-7-12)11(2)3/h4,6-9,11,14-15H,1,5,10H2,2-3H3
InChIKeyLHSQWQKFSIXGTE-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)pent-4-en-2-ol

1-(4-propan-2-ylphenyl)pent-4-en-2-ol (PubChem CID 116659906) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)pent-4-en-2-ol
PubChem CID116659906
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(4-propan-2-ylphenyl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20O/c1-4-5-14(15)10-12-6-8-13(9-7-12)11(2)3/h4,6-9,11,14-15H,1,5,10H2,2-3H3
InChIKeyLHSQWQKFSIXGTE-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.29
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

1-(4-propan-2-ylphenyl)pent-4-en-2-amine
CID 116660393
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
(2S)-2-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 125467117
1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 79086807
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
(2S)-2-methyl-3-(4-propan-2-ylphenyl)propanoate
CID 6956821
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
CID 105089027
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)pent-4-en-2-ol?
The IUPAC name of 1-(4-propan-2-ylphenyl)pent-4-en-2-ol (CID 116659906) is 1-(4-propan-2-ylphenyl)pent-4-en-2-ol.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)pent-4-en-2-ol?
The canonical SMILES for 1-(4-propan-2-ylphenyl)pent-4-en-2-ol is C=CCC(O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)pent-4-en-2-ol?
The InChIKey is LHSQWQKFSIXGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-5-14(15)10-12-6-8-13(9-7-12)11(2)3/h4,6-9,11,14-15H,1,5,10H2,2-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)pent-4-en-2-ol?
1-(4-propan-2-ylphenyl)pent-4-en-2-ol has a molecular weight of 204.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)pent-4-en-2-ol is sourced from PubChem (CID 116659906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).