2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol

C16H17ClO2 — CID 105079210

IUPAC2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClO2/c1-11-6-12(2)8-13(7-11)16(18)10-19-15-5-3-4-14(17)9-15/h3-9,16,18H,10H2,1-2H3
InChIKeyBFSKLFICNWRHSW-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.07
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol

2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol (PubChem CID 105079210) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
PubChem CID105079210
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClO2/c1-11-6-12(2)8-13(7-11)16(18)10-19-15-5-3-4-14(17)9-15/h3-9,16,18H,10H2,1-2H3
InChIKeyBFSKLFICNWRHSW-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-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106884046
2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 105124244
2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
CID 115766337
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol (CID 105079210) is 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(C(O)COc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol?
The InChIKey is BFSKLFICNWRHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-6-12(2)8-13(7-11)16(18)10-19-15-5-3-4-14(17)9-15/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol?
2-(3-chlorophenoxy)-1-(3,5-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-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 105079210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).