1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol

C14H21ClO2 — CID 65146328

IUPAC1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClO2/c1-5-10(2)14(3,16)9-11-8-12(15)6-7-13(11)17-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyWBYPBEXQKCKXAX-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.69
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol

1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol (PubChem CID 65146328) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
PubChem CID65146328
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClO2/c1-5-10(2)14(3,16)9-11-8-12(15)6-7-13(11)17-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyWBYPBEXQKCKXAX-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 62621102
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 62622768
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 81023645
2-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566819

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol (CID 65146328) is 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol?
The InChIKey is WBYPBEXQKCKXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-5-10(2)14(3,16)9-11-8-12(15)6-7-13(11)17-4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol?
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol has a molecular weight of 256.77 g/mol, XLogP of 3.69, 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)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 65146328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).