1-(3-chlorophenyl)-5-methoxypentan-2-ol

C12H17ClO2 — CID 62608166

IUPAC1-(3-chlorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H17ClO2/c1-15-7-3-6-12(14)9-10-4-2-5-11(13)8-10/h2,4-5,8,12,14H,3,6-7,9H2,1H3
InChIKeyIWHDEXVSLQPJQR-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.67
Rot. Bonds6

About 1-(3-chlorophenyl)-5-methoxypentan-2-ol

1-(3-chlorophenyl)-5-methoxypentan-2-ol (PubChem CID 62608166) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methoxypentan-2-ol
PubChem CID62608166
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(3-chlorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H17ClO2/c1-15-7-3-6-12(14)9-10-4-2-5-11(13)8-10/h2,4-5,8,12,14H,3,6-7,9H2,1H3
InChIKeyIWHDEXVSLQPJQR-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-4-propan-2-yloxybutan-2-ol
CID 115000273
1-[2-(bromomethyl)-5-methoxypentyl]-3-chlorobenzene
CID 66040719
1-(3-chlorophenyl)-5-methoxyhexan-2-ol
CID 105076733
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400
1-(3-chlorophenyl)-4-methylsulfanylbutan-2-ol
CID 63900166
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
CID 65092433
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964
2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
CID 104649236
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methoxypentan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-5-methoxypentan-2-ol (CID 62608166) is 1-(3-chlorophenyl)-5-methoxypentan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methoxypentan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-5-methoxypentan-2-ol is COCCCC(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methoxypentan-2-ol?
The InChIKey is IWHDEXVSLQPJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-15-7-3-6-12(14)9-10-4-2-5-11(13)8-10/h2,4-5,8,12,14H,3,6-7,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-5-methoxypentan-2-ol?
1-(3-chlorophenyl)-5-methoxypentan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methoxypentan-2-ol is sourced from PubChem (CID 62608166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).