2,2-bis(4-hydroxyphenyl)pentan-3-one

C17H18O3 — CID 102133981

IUPAC2,2-bis(4-hydroxyphenyl)pentan-3-one
SMILESCCC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O3/c1-3-16(20)17(2,12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,18-19H,3H2,1-2H3
InChIKeyKHCQBHHZAZOFJX-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.38
Rot. Bonds4

About 2,2-bis(4-hydroxyphenyl)pentan-3-one

2,2-bis(4-hydroxyphenyl)pentan-3-one (PubChem CID 102133981) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,2-bis(4-hydroxyphenyl)pentan-3-one.

Molecular Properties

Compound Name2,2-bis(4-hydroxyphenyl)pentan-3-one
PubChem CID102133981
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,2-bis(4-hydroxyphenyl)pentan-3-one
SMILESCCC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O3/c1-3-16(20)17(2,12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,18-19H,3H2,1-2H3
InChIKeyKHCQBHHZAZOFJX-UHFFFAOYSA-N
XLogP3.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenylpentan-3-one
CID 70793023
propyl 2,2-bis(4-hydroxyphenyl)propanoate
CID 139611231
(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
CID 86338935
propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate
CID 139611178
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;cobalt
CID 174380967
bis(benzene-1,4-diol);carbonic acid;propane
CID 70469220
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;nickel
CID 162056786
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-hydroxyphenyl)pentan-3-one?
The IUPAC name of 2,2-bis(4-hydroxyphenyl)pentan-3-one (CID 102133981) is 2,2-bis(4-hydroxyphenyl)pentan-3-one.
What is the SMILES notation for 2,2-bis(4-hydroxyphenyl)pentan-3-one?
The canonical SMILES for 2,2-bis(4-hydroxyphenyl)pentan-3-one is CCC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2,2-bis(4-hydroxyphenyl)pentan-3-one?
The InChIKey is KHCQBHHZAZOFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-16(20)17(2,12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,18-19H,3H2,1-2H3.
What are the key properties of 2,2-bis(4-hydroxyphenyl)pentan-3-one?
2,2-bis(4-hydroxyphenyl)pentan-3-one has a molecular weight of 270.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-hydroxyphenyl)pentan-3-one is sourced from PubChem (CID 102133981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).