2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol

C23H32O3 — CID 57199170

IUPAC2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol
SMILESCC(C)(O)CCCCCC(C)(c1ccccc1)c1ccc(O)c(CO)c1
InChIInChI=1S/C23H32O3/c1-22(2,26)14-8-5-9-15-23(3,19-10-6-4-7-11-19)20-12-13-21(25)18(16-20)17-24/h4,6-7,10-13,16,24-26H,5,8-9,14-15,17H2,1-3H3
InChIKeyQZTWUWCCMBZDTR-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.91
Rot. Bonds9

About 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol

2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol (PubChem CID 57199170) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol
PubChem CID57199170
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol
SMILESCC(C)(O)CCCCCC(C)(c1ccccc1)c1ccc(O)c(CO)c1
InChIInChI=1S/C23H32O3/c1-22(2,26)14-8-5-9-15-23(3,19-10-6-4-7-11-19)20-12-13-21(25)18(16-20)17-24/h4,6-7,10-13,16,24-26H,5,8-9,14-15,17H2,1-3H3
InChIKeyQZTWUWCCMBZDTR-UHFFFAOYSA-N
XLogP4.91
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
CID 163710554
4-(2-phenyloctan-2-yl)phenol
CID 174541966
4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol
CID 139760589
2-(aminomethyl)-4-(2-phenylpropan-2-yl)phenol
CID 12652121
6-phenylheptane-1,6-diol
CID 11310303
butyl-[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl]azanium
CID 7815765
benzoic acid;6-methylheptane-1,6-diol
CID 175023836
2,2-diphenyltridecan-7-one
CID 91284823
2-methyl-6-phenylhexan-2-ol
CID 12716611
4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol
CID 23363497
4-[2-(4-hydroxy-3-phenylphenyl)-5,5-bis(4-hydroxy-3-propan-2-ylphenyl)hexan-2-yl]-2-phenylphenol
CID 135160125
2-(hydroxymethyl)-4-[[3-(6-hydroxy-6-methylheptan-2-yl)phenoxy]methyl]phenol
CID 23439703

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol?
The IUPAC name of 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol (CID 57199170) is 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol is CC(C)(O)CCCCCC(C)(c1ccccc1)c1ccc(O)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol?
The InChIKey is QZTWUWCCMBZDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3/c1-22(2,26)14-8-5-9-15-23(3,19-10-6-4-7-11-19)20-12-13-21(25)18(16-20)17-24/h4,6-7,10-13,16,24-26H,5,8-9,14-15,17H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol?
2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol has a molecular weight of 356.51 g/mol, XLogP of 4.91, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol is sourced from PubChem (CID 57199170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).