1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol

C13H19ClO2 — CID 79697692

IUPAC1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H19ClO2/c1-4-5-9(2)13(15)10-6-7-11(14)12(8-10)16-3/h6-9,13,15H,4-5H2,1-3H3
InChIKeyDWDOMMZPPYDJKF-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.82
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol

1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol (PubChem CID 79697692) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol
PubChem CID79697692
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H19ClO2/c1-4-5-9(2)13(15)10-6-7-11(14)12(8-10)16-3/h6-9,13,15H,4-5H2,1-3H3
InChIKeyDWDOMMZPPYDJKF-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol
CID 61100359
4-chloro-1-(4-chloro-3-methoxyphenyl)butane-1,2-diol
CID 171893697
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
4-bromo-1-(4-chloro-3-methoxyphenyl)butane-1,2-diol
CID 171891906
1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol
CID 79697411
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
CID 116718489
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol (CID 79697692) is 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol is CCCC(C)C(O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol?
The InChIKey is DWDOMMZPPYDJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-4-5-9(2)13(15)10-6-7-11(14)12(8-10)16-3/h6-9,13,15H,4-5H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol?
1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 3.82, 5 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)-2-methylpentan-1-ol is sourced from PubChem (CID 79697692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).