2-methyl-1-phenylhex-5-en-2-ol

C13H18O — CID 104656177

IUPAC2-methyl-1-phenylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1ccccc1
InChIInChI=1S/C13H18O/c1-3-4-10-13(2,14)11-12-8-6-5-7-9-12/h3,5-9,14H,1,4,10-11H2,2H3
InChIKeyAHSACPJEWXMSQQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-1-phenylhex-5-en-2-ol

2-methyl-1-phenylhex-5-en-2-ol (PubChem CID 104656177) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-1-phenylhex-5-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-phenylhex-5-en-2-ol
PubChem CID104656177
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-methyl-1-phenylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1ccccc1
InChIInChI=1S/C13H18O/c1-3-4-10-13(2,14)11-12-8-6-5-7-9-12/h3,5-9,14H,1,4,10-11H2,2H3
InChIKeyAHSACPJEWXMSQQ-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.95
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-(3-chlorophenyl)-2-methylhex-5-en-2-ol
CID 104656378
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol
CID 107307645
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol
CID 104656322
1-(2-bromo-3-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656402
2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol
CID 104656167
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676
1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
CID 113437948
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
benzyl 3,3-dimethylhept-6-enoate
CID 158520959

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylhex-5-en-2-ol?
The IUPAC name of 2-methyl-1-phenylhex-5-en-2-ol (CID 104656177) is 2-methyl-1-phenylhex-5-en-2-ol.
What is the SMILES notation for 2-methyl-1-phenylhex-5-en-2-ol?
The canonical SMILES for 2-methyl-1-phenylhex-5-en-2-ol is C=CCCC(C)(O)Cc1ccccc1.
What is the InChIKey of 2-methyl-1-phenylhex-5-en-2-ol?
The InChIKey is AHSACPJEWXMSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-4-10-13(2,14)11-12-8-6-5-7-9-12/h3,5-9,14H,1,4,10-11H2,2H3.
What are the key properties of 2-methyl-1-phenylhex-5-en-2-ol?
2-methyl-1-phenylhex-5-en-2-ol has a molecular weight of 190.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylhex-5-en-2-ol is sourced from PubChem (CID 104656177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).