3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol

C15H15ClO3 — CID 117243009

IUPAC3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol
SMILESOCC(COc1ccccc1Cl)c1cccc(O)c1
InChIInChI=1S/C15H15ClO3/c16-14-6-1-2-7-15(14)19-10-12(9-17)11-4-3-5-13(18)8-11/h1-8,12,17-18H,9-10H2
InChIKeyZQEFCHXRTMESKA-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.20
Rot. Bonds5

About 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol

3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol (PubChem CID 117243009) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol.

Molecular Properties

Compound Name3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol
PubChem CID117243009
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol
SMILESOCC(COc1ccccc1Cl)c1cccc(O)c1
InChIInChI=1S/C15H15ClO3/c16-14-6-1-2-7-15(14)19-10-12(9-17)11-4-3-5-13(18)8-11/h1-8,12,17-18H,9-10H2
InChIKeyZQEFCHXRTMESKA-UHFFFAOYSA-N
XLogP3.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
CID 117242992
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
CID 125466536
3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol
CID 117243175
3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
CID 117242661
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
CID 102940911
2-(3-hydroxy-2-pyridin-3-ylpropoxy)phenol
CID 117241268
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
CID 117243342
3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243377
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol?
The IUPAC name of 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol (CID 117243009) is 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol.
What is the SMILES notation for 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol?
The canonical SMILES for 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol is OCC(COc1ccccc1Cl)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol?
The InChIKey is ZQEFCHXRTMESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c16-14-6-1-2-7-15(14)19-10-12(9-17)11-4-3-5-13(18)8-11/h1-8,12,17-18H,9-10H2.
What are the key properties of 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol?
3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol has a molecular weight of 278.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol is sourced from PubChem (CID 117243009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).