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

C13H19ClO2 — CID 80557519

IUPAC1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClO2/c1-4-7-13(2,15)9-10-8-11(14)5-6-12(10)16-3/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyBODRFXQHUVCXNO-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.44
Rot. Bonds5

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

1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol (PubChem CID 80557519) 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-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
PubChem CID80557519
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClO2/c1-4-7-13(2,15)9-10-8-11(14)5-6-12(10)16-3/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyBODRFXQHUVCXNO-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 65146328
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
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4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
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1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
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1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
4-(5-chloro-2-methoxyphenyl)-2,2-dimethylbutanoic acid
CID 82120597
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
4-(5-chloro-2-methoxyphenyl)-3,3-difluorobutanoic acid
CID 116839842
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 62621102
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol (CID 80557519) is 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol is CCCC(C)(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol?
The InChIKey is BODRFXQHUVCXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-4-7-13(2,15)9-10-8-11(14)5-6-12(10)16-3/h5-6,8,15H,4,7,9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol?
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 3.44, 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-2-ol is sourced from PubChem (CID 80557519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).