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

C13H19ClO2 — CID 63562020

IUPAC1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClO2/c1-4-12(15)9(2)7-10-8-11(14)5-6-13(10)16-3/h5-6,8-9,12,15H,4,7H2,1-3H3
InChIKeyYHBOKRIZVFIJLR-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.30
Rot. Bonds5

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

1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol (PubChem CID 63562020) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
PubChem CID63562020
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClO2/c1-4-12(15)9(2)7-10-8-11(14)5-6-13(10)16-3/h5-6,8-9,12,15H,4,7H2,1-3H3
InChIKeyYHBOKRIZVFIJLR-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
3-[(5-chloro-2-methoxyphenyl)methyl]pentan-2-one
CID 60999984
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-one
CID 63548794
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 65146328
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol (CID 63562020) is 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol is CCC(O)C(C)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol?
The InChIKey is YHBOKRIZVFIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-4-12(15)9(2)7-10-8-11(14)5-6-13(10)16-3/h5-6,8-9,12,15H,4,7H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol?
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol has a molecular weight of 242.75 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 63562020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).