1-(2-chloro-4-methoxyphenyl)decan-1-ol

C17H27ClO2 — CID 65427527

IUPAC1-(2-chloro-4-methoxyphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H27ClO2/c1-3-4-5-6-7-8-9-10-17(19)15-12-11-14(20-2)13-16(15)18/h11-13,17,19H,3-10H2,1-2H3
InChIKeyWOJZJRRZZKETJY-UHFFFAOYSA-N
MW298.85 g/mol
LogP5.52
Rot. Bonds10

About 1-(2-chloro-4-methoxyphenyl)decan-1-ol

1-(2-chloro-4-methoxyphenyl)decan-1-ol (PubChem CID 65427527) has the molecular formula C17H27ClO2 and a molecular weight of 298.85 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)decan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)decan-1-ol
PubChem CID65427527
Molecular FormulaC17H27ClO2
Molecular Weight298.85 g/mol
Exact Mass298.17
IUPAC Name1-(2-chloro-4-methoxyphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H27ClO2/c1-3-4-5-6-7-8-9-10-17(19)15-12-11-14(20-2)13-16(15)18/h11-13,17,19H,3-10H2,1-2H3
InChIKeyWOJZJRRZZKETJY-UHFFFAOYSA-N
XLogP5.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.85
LogP ≤ 55.52
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

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CID 55199625
1-(4-methoxy-2-methylphenyl)octan-1-ol
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1-(2-bromo-4-methoxyphenyl)heptan-1-ol
CID 114753404
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
1-(4-amino-2-chlorophenyl)octan-1-ol
CID 112736197
1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol
CID 18921898
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
CID 82983938
1-(1-chlorooctyl)-4-methoxy-2-methylbenzene
CID 63429941
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)decan-1-ol?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)decan-1-ol (CID 65427527) is 1-(2-chloro-4-methoxyphenyl)decan-1-ol.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)decan-1-ol?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)decan-1-ol is CCCCCCCCCC(O)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)decan-1-ol?
The InChIKey is WOJZJRRZZKETJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO2/c1-3-4-5-6-7-8-9-10-17(19)15-12-11-14(20-2)13-16(15)18/h11-13,17,19H,3-10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)decan-1-ol?
1-(2-chloro-4-methoxyphenyl)decan-1-ol has a molecular weight of 298.85 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)decan-1-ol is sourced from PubChem (CID 65427527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).