bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone

C25H34O3 — CID 67578921

IUPACbis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(C(C)C)cc2CCCO)c(CCCO)c1
InChIInChI=1S/C25H34O3/c1-17(2)19-9-11-23(21(15-19)7-5-13-26)25(28)24-12-10-20(18(3)4)16-22(24)8-6-14-27/h9-12,15-18,26-27H,5-8,13-14H2,1-4H3
InChIKeyGFSSBANHENDQRY-UHFFFAOYSA-N
MW382.54 g/mol
LogP5.01
Rot. Bonds10

About bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone

bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone (PubChem CID 67578921) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone.

Molecular Properties

Compound Namebis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone
PubChem CID67578921
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Namebis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(C(C)C)cc2CCCO)c(CCCO)c1
InChIInChI=1S/C25H34O3/c1-17(2)19-9-11-23(21(15-19)7-5-13-26)25(28)24-12-10-20(18(3)4)16-22(24)8-6-14-27/h9-12,15-18,26-27H,5-8,13-14H2,1-4H3
InChIKeyGFSSBANHENDQRY-UHFFFAOYSA-N
XLogP5.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
methyl 3-(2-hydroxyethyl)-6-propan-2-ylazulene-1-carboxylate
CID 10084626
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
4-fluoro-2-(3-hydroxypropyl)benzamide
CID 86681537
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane
CID 157468771
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
2-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-4-propan-2-ylbenzoic acid
CID 68881168

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone?
The IUPAC name of bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone (CID 67578921) is bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone.
What is the SMILES notation for bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone?
The canonical SMILES for bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone is CC(C)c1ccc(C(=O)c2ccc(C(C)C)cc2CCCO)c(CCCO)c1.
What is the InChIKey of bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone?
The InChIKey is GFSSBANHENDQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3/c1-17(2)19-9-11-23(21(15-19)7-5-13-26)25(28)24-12-10-20(18(3)4)16-22(24)8-6-14-27/h9-12,15-18,26-27H,5-8,13-14H2,1-4H3.
What are the key properties of bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone?
bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone has a molecular weight of 382.54 g/mol, XLogP of 5.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone is sourced from PubChem (CID 67578921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).