4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one

C25H34O3 — CID 141291359

IUPAC4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
SMILESCC(C)C(c1ccccc1)C(C)(O)C(=O)C(C)(O)C(c1ccccc1)C(C)C
InChIInChI=1S/C25H34O3/c1-17(2)21(19-13-9-7-10-14-19)24(5,27)23(26)25(6,28)22(18(3)4)20-15-11-8-12-16-20/h7-18,21-22,27-28H,1-6H3
InChIKeyYZAPMTLMDAPPMW-UHFFFAOYSA-N
MW382.54 g/mol
LogP4.94
Rot. Bonds8

About 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one

4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one (PubChem CID 141291359) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one.

Molecular Properties

Compound Name4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
PubChem CID141291359
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
SMILESCC(C)C(c1ccccc1)C(C)(O)C(=O)C(C)(O)C(c1ccccc1)C(C)C
InChIInChI=1S/C25H34O3/c1-17(2)21(19-13-9-7-10-14-19)24(5,27)23(26)25(6,28)22(18(3)4)20-15-11-8-12-16-20/h7-18,21-22,27-28H,1-6H3
InChIKeyYZAPMTLMDAPPMW-UHFFFAOYSA-N
XLogP4.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-3-phenylpentan-2-ol
CID 91224802
2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
CID 79304394
2,2,4,5,5-pentamethylhexan-3-ylbenzene
CID 123822213
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714
2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid
CID 134892401
ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate
CID 83051907
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
2-amino-3-phenylbutan-2-ol
CID 68615274
(1R)-1-phenylethanamine;propan-2-one
CID 54416751

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one?
The IUPAC name of 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one (CID 141291359) is 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one.
What is the SMILES notation for 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one?
The canonical SMILES for 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one is CC(C)C(c1ccccc1)C(C)(O)C(=O)C(C)(O)C(c1ccccc1)C(C)C.
What is the InChIKey of 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one?
The InChIKey is YZAPMTLMDAPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3/c1-17(2)21(19-13-9-7-10-14-19)24(5,27)23(26)25(6,28)22(18(3)4)20-15-11-8-12-16-20/h7-18,21-22,27-28H,1-6H3.
What are the key properties of 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one?
4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one has a molecular weight of 382.54 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one is sourced from PubChem (CID 141291359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).