4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol

C15H14ClFO2 — CID 102617435

IUPAC4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
SMILESCC(O)(Cc1cc(F)ccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H14ClFO2/c1-15(19,11-2-5-13(18)6-3-11)9-10-8-12(17)4-7-14(10)16/h2-8,18-19H,9H2,1H3
InChIKeyLIDRWELXQQDHEK-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.63
Rot. Bonds3

About 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol

4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol (PubChem CID 102617435) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
PubChem CID102617435
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
SMILESCC(O)(Cc1cc(F)ccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H14ClFO2/c1-15(19,11-2-5-13(18)6-3-11)9-10-8-12(17)4-7-14(10)16/h2-8,18-19H,9H2,1H3
InChIKeyLIDRWELXQQDHEK-UHFFFAOYSA-N
XLogP3.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65316898
1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 102617180
1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65316570
4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075778
2-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutanoic acid
CID 102616919
4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
CID 83075337
1-chloro-2-[2-(chloromethyl)-2-ethylbutyl]-4-fluorobenzene
CID 102621280
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
3-amino-1-(2-chloro-5-fluorophenyl)-3-methylbutan-2-one
CID 96600920
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol?
The IUPAC name of 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol (CID 102617435) is 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol.
What is the SMILES notation for 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol?
The canonical SMILES for 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol is CC(O)(Cc1cc(F)ccc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol?
The InChIKey is LIDRWELXQQDHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-15(19,11-2-5-13(18)6-3-11)9-10-8-12(17)4-7-14(10)16/h2-8,18-19H,9H2,1H3.
What are the key properties of 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol?
4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol has a molecular weight of 280.73 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol is sourced from PubChem (CID 102617435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).