1-(3-chlorophenyl)-4-methylpent-4-en-2-ol

C12H15ClO — CID 79178681

IUPAC1-(3-chlorophenyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-9(2)6-12(14)8-10-4-3-5-11(13)7-10/h3-5,7,12,14H,1,6,8H2,2H3
InChIKeyATUPLBFDDRJROR-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.21
Rot. Bonds4

About 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol

1-(3-chlorophenyl)-4-methylpent-4-en-2-ol (PubChem CID 79178681) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-methylpent-4-en-2-ol
PubChem CID79178681
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(3-chlorophenyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-9(2)6-12(14)8-10-4-3-5-11(13)7-10/h3-5,7,12,14H,1,6,8H2,2H3
InChIKeyATUPLBFDDRJROR-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.21
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)-4,4-dimethylpentan-2-ol
CID 63016982
1-(3-chlorophenyl)-4-methylsulfanylbutan-2-ol
CID 63900166
1-(3-chlorophenyl)-4-propan-2-yloxybutan-2-ol
CID 115000273
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474158
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762
5-(3-chlorophenyl)-4-methylpentan-2-one
CID 64721392
1-(3-chlorophenyl)-5-methoxyhexan-2-ol
CID 105076733
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
3-[(3-chlorophenyl)methyl]-4-methylpentan-2-ol
CID 62914608
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol (CID 79178681) is 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol is C=C(C)CC(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol?
The InChIKey is ATUPLBFDDRJROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-9(2)6-12(14)8-10-4-3-5-11(13)7-10/h3-5,7,12,14H,1,6,8H2,2H3.
What are the key properties of 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol?
1-(3-chlorophenyl)-4-methylpent-4-en-2-ol has a molecular weight of 210.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-methylpent-4-en-2-ol is sourced from PubChem (CID 79178681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).