3,3-dimethyl-2-phenylpent-4-en-1-ol

C13H18O — CID 165392453

IUPAC3,3-dimethyl-2-phenylpent-4-en-1-ol
SMILESC=CC(C)(C)C(CO)c1ccccc1
InChIInChI=1S/C13H18O/c1-4-13(2,3)12(10-14)11-8-6-5-7-9-11/h4-9,12,14H,1,10H2,2-3H3
InChIKeyHKDITIYGIJUTJA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.97
Rot. Bonds4

About 3,3-dimethyl-2-phenylpent-4-en-1-ol

3,3-dimethyl-2-phenylpent-4-en-1-ol (PubChem CID 165392453) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-phenylpent-4-en-1-ol
PubChem CID165392453
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3,3-dimethyl-2-phenylpent-4-en-1-ol
SMILESC=CC(C)(C)C(CO)c1ccccc1
InChIInChI=1S/C13H18O/c1-4-13(2,3)12(10-14)11-8-6-5-7-9-11/h4-9,12,14H,1,10H2,2-3H3
InChIKeyHKDITIYGIJUTJA-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.97
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

(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene
CID 139239654
(2R,3S)-4,4-dimethyl-3-phenylmethoxyhex-5-ene-1,2-diol
CID 165415763
3,7-dimethyl-4-phenylocta-1,6-dien-3-ol
CID 118649482
(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
(2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane
CID 134975293
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
[hydroperoxy(2-methylbut-3-en-2-yloxy)methyl]benzene
CID 10727068
1-[4-(hydroxymethyl)phenyl]-2,2-dimethylbut-3-en-1-ol
CID 11344770
(2S)-2-methyl-2-[(1S)-1-phenylethyl]but-3-enoic acid
CID 101139802
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate
CID 101410900
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenylpent-4-en-1-ol?
The IUPAC name of 3,3-dimethyl-2-phenylpent-4-en-1-ol (CID 165392453) is 3,3-dimethyl-2-phenylpent-4-en-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-phenylpent-4-en-1-ol?
The canonical SMILES for 3,3-dimethyl-2-phenylpent-4-en-1-ol is C=CC(C)(C)C(CO)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-2-phenylpent-4-en-1-ol?
The InChIKey is HKDITIYGIJUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-13(2,3)12(10-14)11-8-6-5-7-9-11/h4-9,12,14H,1,10H2,2-3H3.
What are the key properties of 3,3-dimethyl-2-phenylpent-4-en-1-ol?
3,3-dimethyl-2-phenylpent-4-en-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenylpent-4-en-1-ol is sourced from PubChem (CID 165392453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).