4-chloro-2-(1-hydroxy-1-phenylethyl)phenol

C14H13ClO2 — CID 12812396

IUPAC4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
SMILESCC(O)(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H13ClO2/c1-14(17,10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h2-9,16-17H,1H3
InChIKeyRPBJDGUXTSCXJX-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol

4-chloro-2-(1-hydroxy-1-phenylethyl)phenol (PubChem CID 12812396) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
PubChem CID12812396
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
SMILESCC(O)(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H13ClO2/c1-14(17,10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h2-9,16-17H,1H3
InChIKeyRPBJDGUXTSCXJX-UHFFFAOYSA-N
XLogP3.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol
CID 13076846
4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
CID 13076854
2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
CID 10562254
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085
1-(4-chlorophenyl)-1-(2-fluorophenyl)ethanol
CID 55026142
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
1-(3-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 62787274
1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone
CID 171344383
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 64985168
2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde
CID 153327847

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol?
The IUPAC name of 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol (CID 12812396) is 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol.
What is the SMILES notation for 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol?
The canonical SMILES for 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol is CC(O)(c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol?
The InChIKey is RPBJDGUXTSCXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-14(17,10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h2-9,16-17H,1H3.
What are the key properties of 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol?
4-chloro-2-(1-hydroxy-1-phenylethyl)phenol has a molecular weight of 248.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-hydroxy-1-phenylethyl)phenol is sourced from PubChem (CID 12812396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).