1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol

C30H48O4 — CID 69306301

IUPAC1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol
SMILESCC(C)(C)C(O)CCCC(O)C(C)(C)C.OC(Cc1ccccc1)CC(O)Cc1ccccc1
InChIInChI=1S/C17H20O2.C13H28O2/c18-16(11-14-7-3-1-4-8-14)13-17(19)12-15-9-5-2-6-10-15;1-12(2,3)10(14)8-7-9-11(15)13(4,5)6/h1-10,16-19H,11-13H2;10-11,14-15H,7-9H2,1-6H3
InChIKeyQIJWROZZGCALCU-UHFFFAOYSA-N
MW472.71 g/mol
LogP5.55
Rot. Bonds10

About 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol

1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol (PubChem CID 69306301) has the molecular formula C30H48O4 and a molecular weight of 472.71 g/mol. Its IUPAC name is 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol.

Molecular Properties

Compound Name1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol
PubChem CID69306301
Molecular FormulaC30H48O4
Molecular Weight472.71 g/mol
Exact Mass472.36
IUPAC Name1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol
SMILESCC(C)(C)C(O)CCCC(O)C(C)(C)C.OC(Cc1ccccc1)CC(O)Cc1ccccc1
InChIInChI=1S/C17H20O2.C13H28O2/c18-16(11-14-7-3-1-4-8-14)13-17(19)12-15-9-5-2-6-10-15;1-12(2,3)10(14)8-7-9-11(15)13(4,5)6/h1-10,16-19H,11-13H2;10-11,14-15H,7-9H2,1-6H3
InChIKeyQIJWROZZGCALCU-UHFFFAOYSA-N
XLogP5.55
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.71
LogP ≤ 55.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
1,6-diphenylhexane-2,5-diol
CID 15072586
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
(2S,4R)-1-phenyloct-7-ene-2,4-diol
CID 102019922
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
4-hydroxy-2-methyl-5-phenylpentanoic acid
CID 57472998
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
(3-hydroxy-4-phenylbutyl)azanium chloride
CID 141211751
4,4-dimethyl-1-phenylpentane-1,3-diol
CID 14869149
3,3-diethyl-1-phenylpentan-2-ol
CID 141275578

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol?
The IUPAC name of 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol (CID 69306301) is 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol.
What is the SMILES notation for 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol?
The canonical SMILES for 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol is CC(C)(C)C(O)CCCC(O)C(C)(C)C.OC(Cc1ccccc1)CC(O)Cc1ccccc1.
What is the InChIKey of 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol?
The InChIKey is QIJWROZZGCALCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.C13H28O2/c18-16(11-14-7-3-1-4-8-14)13-17(19)12-15-9-5-2-6-10-15;1-12(2,3)10(14)8-7-9-11(15)13(4,5)6/h1-10,16-19H,11-13H2;10-11,14-15H,7-9H2,1-6H3.
What are the key properties of 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol?
1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol has a molecular weight of 472.71 g/mol, XLogP of 5.55, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol is sourced from PubChem (CID 69306301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).