1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol

C15H23ClO2 — CID 106867588

IUPAC1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H23ClO2/c1-5-15(6-2,18-4)14(17)10-12-8-7-11(3)9-13(12)16/h7-9,14,17H,5-6,10H2,1-4H3
InChIKeyZMKBVAXEJBZXCB-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.76
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol

1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol (PubChem CID 106867588) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
PubChem CID106867588
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H23ClO2/c1-5-15(6-2,18-4)14(17)10-12-8-7-11(3)9-13(12)16/h7-9,14,17H,5-6,10H2,1-4H3
InChIKeyZMKBVAXEJBZXCB-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-methylpentane-2,3-diol
CID 106867632
(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
CID 106867561
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106868583
1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
CID 116751904
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
1-(2-chloro-4-methylphenyl)-4-methoxy-3-methylbutan-2-ol
CID 106866649
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
CID 106866597

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol (CID 106867588) is 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol is CCC(CC)(OC)C(O)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol?
The InChIKey is ZMKBVAXEJBZXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-5-15(6-2,18-4)14(17)10-12-8-7-11(3)9-13(12)16/h7-9,14,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol?
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol has a molecular weight of 270.80 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol is sourced from PubChem (CID 106867588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).