1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol

C15H23ClO2 — CID 114270657

IUPAC1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)C(C)C(C)(C)C
InChIInChI=1S/C15H23ClO2/c1-10(15(2,3)4)13(17)9-11-8-12(16)6-7-14(11)18-5/h6-8,10,13,17H,9H2,1-5H3
InChIKeyTWOCEMMNYOKULY-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.93
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol

1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol (PubChem CID 114270657) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
PubChem CID114270657
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)C(C)C(C)(C)C
InChIInChI=1S/C15H23ClO2/c1-10(15(2,3)4)13(17)9-11-8-12(16)6-7-14(11)18-5/h6-8,10,13,17H,9H2,1-5H3
InChIKeyTWOCEMMNYOKULY-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79053243
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)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol (CID 114270657) is 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol is COc1ccc(Cl)cc1CC(O)C(C)C(C)(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol?
The InChIKey is TWOCEMMNYOKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-10(15(2,3)4)13(17)9-11-8-12(16)6-7-14(11)18-5/h6-8,10,13,17H,9H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol has a molecular weight of 270.80 g/mol, XLogP of 3.93, 4 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)-3,4,4-trimethylpentan-2-ol is sourced from PubChem (CID 114270657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).