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

C19H22O3 — CID 141323363

IUPAC2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one
SMILESCC(C)(C(=O)C(C)(C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C19H22O3/c1-18(2,13-9-5-7-11-15(13)20)17(22)19(3,4)14-10-6-8-12-16(14)21/h5-12,20-21H,1-4H3
InChIKeyHOOVRMNFOCHFEU-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.92
Rot. Bonds4

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

2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one (PubChem CID 141323363) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one
PubChem CID141323363
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one
SMILESCC(C)(C(=O)C(C)(C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C19H22O3/c1-18(2,13-9-5-7-11-15(13)20)17(22)19(3,4)14-10-6-8-12-16(14)21/h5-12,20-21H,1-4H3
InChIKeyHOOVRMNFOCHFEU-UHFFFAOYSA-N
XLogP3.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
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2-(2-hydroxyphenyl)-2-methylpropanal
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2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 105487577
2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid
CID 105493906
tetrakis(2-tert-butylphenol);phosphorous acid
CID 175312297
2-tert-butylphenol;N-methylmethanamine
CID 161387965
2-[2-(dimethylamino)propan-2-yl]phenol
CID 66587179
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CID 175055057

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one?
The IUPAC name of 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one (CID 141323363) is 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one.
What is the SMILES notation for 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one?
The canonical SMILES for 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one is CC(C)(C(=O)C(C)(C)c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one?
The InChIKey is HOOVRMNFOCHFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-18(2,13-9-5-7-11-15(13)20)17(22)19(3,4)14-10-6-8-12-16(14)21/h5-12,20-21H,1-4H3.
What are the key properties of 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one?
2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one has a molecular weight of 298.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one is sourced from PubChem (CID 141323363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).