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

C12H15ClO2 — CID 105110444

IUPAC4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8(2)12(14)9(3)15-11-6-4-5-10(13)7-11/h4-7,9,12,14H,1H2,2-3H3
InChIKeyNHHDXJQXVUARMY-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.04
Rot. Bonds4

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

4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol (PubChem CID 105110444) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
PubChem CID105110444
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8(2)12(14)9(3)15-11-6-4-5-10(13)7-11/h4-7,9,12,14H,1H2,2-3H3
InChIKeyNHHDXJQXVUARMY-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
2-(3-chlorophenoxy)-N,5-dimethylhex-5-en-3-amine
CID 105162977
2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine
CID 105182592
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 105162926
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol?
The IUPAC name of 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol (CID 105110444) is 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol.
What is the SMILES notation for 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol?
The canonical SMILES for 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol is C=C(C)C(O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol?
The InChIKey is NHHDXJQXVUARMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8(2)12(14)9(3)15-11-6-4-5-10(13)7-11/h4-7,9,12,14H,1H2,2-3H3.
What are the key properties of 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol?
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol has a molecular weight of 226.70 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol is sourced from PubChem (CID 105110444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).