1-(3-chlorophenyl)-2-methylhex-5-en-2-ol

C13H17ClO — CID 104656378

IUPAC1-(3-chlorophenyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H17ClO/c1-3-4-8-13(2,15)10-11-6-5-7-12(14)9-11/h3,5-7,9,15H,1,4,8,10H2,2H3
InChIKeySXVUZJVKOHFJIL-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol

1-(3-chlorophenyl)-2-methylhex-5-en-2-ol (PubChem CID 104656378) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methylhex-5-en-2-ol
PubChem CID104656378
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-(3-chlorophenyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H17ClO/c1-3-4-8-13(2,15)10-11-6-5-7-12(14)9-11/h3,5-7,9,15H,1,4,8,10H2,2H3
InChIKeySXVUZJVKOHFJIL-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.60
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

2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol
CID 107307645
1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol
CID 104656322
1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
CID 113437948
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
CID 60798785
2-[(3-chlorophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640481
3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
CID 111975796
1-chloro-3-(2,2-dimethoxypropyl)benzene
CID 102600712
1-chloro-3-(2,2,2-tribromoethyl)benzene
CID 54491677
1-(2-bromo-3-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656402
(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 12013692
4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
CID 84726327

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol (CID 104656378) is 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol is C=CCCC(C)(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol?
The InChIKey is SXVUZJVKOHFJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-3-4-8-13(2,15)10-11-6-5-7-12(14)9-11/h3,5-7,9,15H,1,4,8,10H2,2H3.
What are the key properties of 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol?
1-(3-chlorophenyl)-2-methylhex-5-en-2-ol has a molecular weight of 224.73 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-methylhex-5-en-2-ol is sourced from PubChem (CID 104656378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).