5-chloro-1-(3-methoxyphenyl)pentan-2-ol

C12H17ClO2 — CID 66046833

IUPAC5-chloro-1-(3-methoxyphenyl)pentan-2-ol
SMILESCOc1cccc(CC(O)CCCCl)c1
InChIInChI=1S/C12H17ClO2/c1-15-12-6-2-4-10(9-12)8-11(14)5-3-7-13/h2,4,6,9,11,14H,3,5,7-8H2,1H3
InChIKeyMXMZTGDKRJLIHC-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.62
Rot. Bonds6

About 5-chloro-1-(3-methoxyphenyl)pentan-2-ol

5-chloro-1-(3-methoxyphenyl)pentan-2-ol (PubChem CID 66046833) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-chloro-1-(3-methoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name5-chloro-1-(3-methoxyphenyl)pentan-2-ol
PubChem CID66046833
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name5-chloro-1-(3-methoxyphenyl)pentan-2-ol
SMILESCOc1cccc(CC(O)CCCCl)c1
InChIInChI=1S/C12H17ClO2/c1-15-12-6-2-4-10(9-12)8-11(14)5-3-7-13/h2,4,6,9,11,14H,3,5,7-8H2,1H3
InChIKeyMXMZTGDKRJLIHC-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
CID 65095333
1-(3-methoxyphenyl)non-8-en-2-ol
CID 107008507
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
5-chloro-1-(3-methylphenyl)pentan-2-ol
CID 66043960
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
CID 114473809
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
CID 129406598

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-methoxyphenyl)pentan-2-ol?
The IUPAC name of 5-chloro-1-(3-methoxyphenyl)pentan-2-ol (CID 66046833) is 5-chloro-1-(3-methoxyphenyl)pentan-2-ol.
What is the SMILES notation for 5-chloro-1-(3-methoxyphenyl)pentan-2-ol?
The canonical SMILES for 5-chloro-1-(3-methoxyphenyl)pentan-2-ol is COc1cccc(CC(O)CCCCl)c1.
What is the InChIKey of 5-chloro-1-(3-methoxyphenyl)pentan-2-ol?
The InChIKey is MXMZTGDKRJLIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-15-12-6-2-4-10(9-12)8-11(14)5-3-7-13/h2,4,6,9,11,14H,3,5,7-8H2,1H3.
What are the key properties of 5-chloro-1-(3-methoxyphenyl)pentan-2-ol?
5-chloro-1-(3-methoxyphenyl)pentan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-methoxyphenyl)pentan-2-ol is sourced from PubChem (CID 66046833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).