1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol

C13H19ClO2 — CID 116751904

IUPAC1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
SMILESCCC(C)(OC)C(O)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClO2/c1-4-13(2,16-3)12(15)9-10-7-5-6-8-11(10)14/h5-8,12,15H,4,9H2,1-3H3
InChIKeyCLQJCLSADANCOK-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol

1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol (PubChem CID 116751904) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
PubChem CID116751904
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
SMILESCCC(C)(OC)C(O)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClO2/c1-4-13(2,16-3)12(15)9-10-7-5-6-8-11(10)14/h5-8,12,15H,4,9H2,1-3H3
InChIKeyCLQJCLSADANCOK-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide
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1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
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1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine
CID 79492735
1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol
CID 107308273
3-[1-(2-chlorophenyl)-3-hydroxypropan-2-yl]oxypentan-3-ol
CID 129084836
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
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2-[(2-chlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83138130

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol (CID 116751904) is 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol is CCC(C)(OC)C(O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol?
The InChIKey is CLQJCLSADANCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-4-13(2,16-3)12(15)9-10-7-5-6-8-11(10)14/h5-8,12,15H,4,9H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol?
1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol is sourced from PubChem (CID 116751904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).