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

C15H15ClO2 — CID 13076854

IUPAC4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
SMILESCCC(O)(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H15ClO2/c1-2-15(18,11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,17-18H,2H2,1H3
InChIKeyIWBGVGGDGRXRCR-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.69
Rot. Bonds3

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

4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol (PubChem CID 13076854) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
PubChem CID13076854
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
SMILESCCC(O)(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H15ClO2/c1-2-15(18,11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,17-18H,2H2,1H3
InChIKeyIWBGVGGDGRXRCR-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
CID 12812396
2-(1-hydroxy-1-phenylpropyl)-5-methylbenzene-1,4-diol
CID 10491430
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329
1-(2,4-difluorophenyl)-1-phenylpropan-1-ol
CID 62800875
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol
CID 13076846
1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine
CID 62791102
2-ethenyl-4-(1-hydroxy-1-phenylpropyl)phenol
CID 143545360
1-[5-chloro-2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1-phenylpropan-1-ol
CID 169376657
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
CID 103394960
1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834788
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-phenylpropyl)phenol?
The IUPAC name of 4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol (CID 13076854) is 4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol.
What is the SMILES notation for 4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol?
The canonical SMILES for 4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol is CCC(O)(c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol?
The InChIKey is IWBGVGGDGRXRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-2-15(18,11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,17-18H,2H2,1H3.
What are the key properties of 4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol?
4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol has a molecular weight of 262.74 g/mol, XLogP of 3.69, 3 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-phenylpropyl)phenol is sourced from PubChem (CID 13076854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).