2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol

C16H17ClO2 — CID 105091612

IUPAC2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)COc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H17ClO2/c1-11-3-4-13(9-12(11)2)16(18)10-19-15-7-5-14(17)6-8-15/h3-9,16,18H,10H2,1-2H3
InChIKeyOQJJEVAMVSXLAY-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol

2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol (PubChem CID 105091612) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
PubChem CID105091612
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)COc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H17ClO2/c1-11-3-4-13(9-12(11)2)16(18)10-19-15-7-5-14(17)6-8-15/h3-9,16,18H,10H2,1-2H3
InChIKeyOQJJEVAMVSXLAY-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol
CID 62336547
2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 63269758
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol
CID 105112926
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 105143051
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol (CID 105091612) is 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol is Cc1ccc(C(O)COc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is OQJJEVAMVSXLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-3-4-13(9-12(11)2)16(18)10-19-15-7-5-14(17)6-8-15/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol?
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 276.76 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 105091612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).