1-(4-chloro-3-methoxyphenyl)decan-1-ol

C17H27ClO2 — CID 115817958

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

About 1-(4-chloro-3-methoxyphenyl)decan-1-ol

1-(4-chloro-3-methoxyphenyl)decan-1-ol (PubChem CID 115817958) has the molecular formula C17H27ClO2 and a molecular weight of 298.85 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)decan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)decan-1-ol
PubChem CID115817958
Molecular FormulaC17H27ClO2
Molecular Weight298.85 g/mol
Exact Mass298.17
IUPAC Name1-(4-chloro-3-methoxyphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H27ClO2/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13,16,19H,3-10H2,1-2H3
InChIKeyQWFNFALRIZFMMZ-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

1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
5-(1-hydroxydodecyl)-2-methoxyphenol
CID 139789005
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
1-(3-bromo-4-chlorophenyl)undecan-1-ol
CID 115566565

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)decan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)decan-1-ol (CID 115817958) is 1-(4-chloro-3-methoxyphenyl)decan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)decan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)decan-1-ol is CCCCCCCCCC(O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)decan-1-ol?
The InChIKey is QWFNFALRIZFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO2/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13,16,19H,3-10H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)decan-1-ol?
1-(4-chloro-3-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-(4-chloro-3-methoxyphenyl)decan-1-ol is sourced from PubChem (CID 115817958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).