[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone

C19H22O3 — CID 66721962

IUPAC[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
SMILESCC(C)(O)c1ccc(C(=O)c2cccc(C(C)(C)O)c2)cc1
InChIInChI=1S/C19H22O3/c1-18(2,21)15-10-8-13(9-11-15)17(20)14-6-5-7-16(12-14)19(3,4)22/h5-12,21-22H,1-4H3
InChIKeyHIWQENREAAHZJJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.37
Rot. Bonds4

About [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone

[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone (PubChem CID 66721962) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
PubChem CID66721962
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
SMILESCC(C)(O)c1ccc(C(=O)c2cccc(C(C)(C)O)c2)cc1
InChIInChI=1S/C19H22O3/c1-18(2,21)15-10-8-13(9-11-15)17(20)14-6-5-7-16(12-14)19(3,4)22/h5-12,21-22H,1-4H3
InChIKeyHIWQENREAAHZJJ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
CID 143590159
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
4-(3-tert-butylbenzoyl)phthalic acid
CID 174762962
methyl 2-(3-benzoylphenyl)-2-methylpropanoate
CID 54260282
[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
CID 134547269
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide
CID 110486139
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486078
2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone
CID 141287480
2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
(4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone
CID 134464344
2-(3-benzoylphenyl)-2-fluoropropanedioic acid
CID 139618703

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The IUPAC name of [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone (CID 66721962) is [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone.
What is the SMILES notation for [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The canonical SMILES for [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone is CC(C)(O)c1ccc(C(=O)c2cccc(C(C)(C)O)c2)cc1.
What is the InChIKey of [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The InChIKey is HIWQENREAAHZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-18(2,21)15-10-8-13(9-11-15)17(20)14-6-5-7-16(12-14)19(3,4)22/h5-12,21-22H,1-4H3.
What are the key properties of [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone has a molecular weight of 298.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone is sourced from PubChem (CID 66721962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).