4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol

C21H28O2 — CID 163777364

IUPAC4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
SMILESCCCC(CC(CCC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H28O2/c1-3-5-18(16-7-11-20(22)12-8-16)15-19(6-4-2)17-9-13-21(23)14-10-17/h7-14,18-19,22-23H,3-6,15H2,1-2H3
InChIKeyMLPZYVRRCCTOKE-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.96
Rot. Bonds8

About 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol

4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol (PubChem CID 163777364) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
PubChem CID163777364
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
SMILESCCCC(CC(CCC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H28O2/c1-3-5-18(16-7-11-20(22)12-8-16)15-19(6-4-2)17-9-13-21(23)14-10-17/h7-14,18-19,22-23H,3-6,15H2,1-2H3
InChIKeyMLPZYVRRCCTOKE-UHFFFAOYSA-N
XLogP5.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
4-undecan-6-ylphenol
CID 66867197
4-hexadecan-7-ylphenol
CID 71320883
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
5-heptan-4-yl-2-(4-heptan-4-yl-2-hydroxyphenyl)phenol
CID 66659268
4-dodecan-3-ylphenol
CID 12820022
4,6-diphenylnonane-1,1-diol
CID 162161241
1,1-diphenylhexan-3-ylbenzene
CID 57087261
4-(3-methylheptan-4-yl)phenol
CID 123454111
ethane;4-(1-methylsulfanylbutyl)phenol
CID 144692141
ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate
CID 142675785
3-(4-hydroxyphenyl)heptanal
CID 91485850

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol?
The IUPAC name of 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol (CID 163777364) is 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol is CCCC(CC(CCC)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol?
The InChIKey is MLPZYVRRCCTOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-3-5-18(16-7-11-20(22)12-8-16)15-19(6-4-2)17-9-13-21(23)14-10-17/h7-14,18-19,22-23H,3-6,15H2,1-2H3.
What are the key properties of 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol?
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol has a molecular weight of 312.45 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol is sourced from PubChem (CID 163777364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).