1-(3,4-dimethylphenyl)hex-5-en-1-ol

C14H20O — CID 115804443

IUPAC1-(3,4-dimethylphenyl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20O/c1-4-5-6-7-14(15)13-9-8-11(2)12(3)10-13/h4,8-10,14-15H,1,5-7H2,2-3H3
InChIKeyJJCNSCKWJWAMLJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.69
Rot. Bonds5

About 1-(3,4-dimethylphenyl)hex-5-en-1-ol

1-(3,4-dimethylphenyl)hex-5-en-1-ol (PubChem CID 115804443) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)hex-5-en-1-ol
PubChem CID115804443
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(3,4-dimethylphenyl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20O/c1-4-5-6-7-14(15)13-9-8-11(2)12(3)10-13/h4,8-10,14-15H,1,5-7H2,2-3H3
InChIKeyJJCNSCKWJWAMLJ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
CID 115804467
1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
1-(4-iodophenyl)hex-5-en-1-ol
CID 115804427
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
1-[4-(dimethylamino)phenyl]hex-5-en-1-ol
CID 105102029
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(3,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65148500
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
1-(3,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148550
1-(4-bromo-3-methylphenyl)hex-5-en-1-amine
CID 104987126
1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)hex-5-en-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)hex-5-en-1-ol (CID 115804443) is 1-(3,4-dimethylphenyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)hex-5-en-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)hex-5-en-1-ol is C=CCCCC(O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)hex-5-en-1-ol?
The InChIKey is JJCNSCKWJWAMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-5-6-7-14(15)13-9-8-11(2)12(3)10-13/h4,8-10,14-15H,1,5-7H2,2-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)hex-5-en-1-ol?
1-(3,4-dimethylphenyl)hex-5-en-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)hex-5-en-1-ol is sourced from PubChem (CID 115804443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).