1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol

C14H21ClO2 — CID 106867571

IUPAC1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
SMILESCCOC(CC)C(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H21ClO2/c1-4-14(17-5-2)13(16)9-11-7-6-10(3)8-12(11)15/h6-8,13-14,16H,4-5,9H2,1-3H3
InChIKeyZDKLSEIGOBQQSG-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol

1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol (PubChem CID 106867571) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
PubChem CID106867571
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
SMILESCCOC(CC)C(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H21ClO2/c1-4-14(17-5-2)13(16)9-11-7-6-10(3)8-12(11)15/h6-8,13-14,16H,4-5,9H2,1-3H3
InChIKeyZDKLSEIGOBQQSG-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol
CID 116711097
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
CID 107308264
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)-4-methoxy-3-methylbutan-2-ol
CID 106866649
1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
CID 106868787
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
3-(2,4-dichlorophenyl)-1,1-diethoxypropan-2-ol
CID 79496239
1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
CID 116711445
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
CID 106870597
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol (CID 106867571) is 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol is CCOC(CC)C(O)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol?
The InChIKey is ZDKLSEIGOBQQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-4-14(17-5-2)13(16)9-11-7-6-10(3)8-12(11)15/h6-8,13-14,16H,4-5,9H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol?
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol has a molecular weight of 256.77 g/mol, XLogP of 3.37, 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-ethoxypentan-2-ol is sourced from PubChem (CID 106867571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).