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

C12H17ClO2 — CID 106867394

IUPAC1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C12H17ClO2/c1-3-15-8-11(14)7-10-5-4-9(2)6-12(10)13/h4-6,11,14H,3,7-8H2,1-2H3
InChIKeyDPCMWJTUBIZTHD-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.59
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol (PubChem CID 106867394) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
PubChem CID106867394
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C12H17ClO2/c1-3-15-8-11(14)7-10-5-4-9(2)6-12(10)13/h4-6,11,14H,3,7-8H2,1-2H3
InChIKeyDPCMWJTUBIZTHD-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
1-(2-chloro-4-methylphenyl)-3-methylsulfonylpropan-2-ol
CID 106868016
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
CID 106865364
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 106867588
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol (CID 106867394) is 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol is CCOCC(O)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol?
The InChIKey is DPCMWJTUBIZTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-3-15-8-11(14)7-10-5-4-9(2)6-12(10)13/h4-6,11,14H,3,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol?
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 2.59, 5 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-ethoxypropan-2-ol is sourced from PubChem (CID 106867394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).