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

C13H19ClO2 — CID 61100359

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

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

1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol (PubChem CID 61100359) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol
PubChem CID61100359
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClO2/c1-4-5-9(2)13(15)10-6-7-12(16-3)11(14)8-10/h6-9,13,15H,4-5H2,1-3H3
InChIKeyGUBAXJSVQMUTIV-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-methylpentan-1-ol
CID 79697692
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol
CID 167489214
3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid
CID 65026320
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
2-chloro-4-(1-chlorohexyl)-1-methoxybenzene
CID 63431280
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol (CID 61100359) is 1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol is CCCC(C)C(O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol?
The InChIKey is GUBAXJSVQMUTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-4-5-9(2)13(15)10-6-7-12(16-3)11(14)8-10/h6-9,13,15H,4-5H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol?
1-(3-chloro-4-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-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol is sourced from PubChem (CID 61100359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).