2-benzyl-5-octoxyphenol

C21H28O2 — CID 143162484

IUPAC2-benzyl-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(Cc2ccccc2)c(O)c1
InChIInChI=1S/C21H28O2/c1-2-3-4-5-6-10-15-23-20-14-13-19(21(22)17-20)16-18-11-8-7-9-12-18/h7-9,11-14,17,22H,2-6,10,15-16H2,1H3
InChIKeyNHMGJOVFOGKJTA-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.72
Rot. Bonds10

About 2-benzyl-5-octoxyphenol

2-benzyl-5-octoxyphenol (PubChem CID 143162484) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-benzyl-5-octoxyphenol.

Molecular Properties

Compound Name2-benzyl-5-octoxyphenol
PubChem CID143162484
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name2-benzyl-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(Cc2ccccc2)c(O)c1
InChIInChI=1S/C21H28O2/c1-2-3-4-5-6-10-15-23-20-14-13-19(21(22)17-20)16-18-11-8-7-9-12-18/h7-9,11-14,17,22H,2-6,10,15-16H2,1H3
InChIKeyNHMGJOVFOGKJTA-UHFFFAOYSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone
CID 4534112
[4-[4-(4-benzyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
CID 58175145
2-(4,6-dibenzyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 151805631
2-benzyl-5-pentadecylphenol
CID 10938093
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
CID 135717091
4-hexoxybenzene-1,2-diol
CID 23459322
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
CID 139071672
2-butyl-4-dodecoxyphenol
CID 70607238

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-octoxyphenol?
The IUPAC name of 2-benzyl-5-octoxyphenol (CID 143162484) is 2-benzyl-5-octoxyphenol.
What is the SMILES notation for 2-benzyl-5-octoxyphenol?
The canonical SMILES for 2-benzyl-5-octoxyphenol is CCCCCCCCOc1ccc(Cc2ccccc2)c(O)c1.
What is the InChIKey of 2-benzyl-5-octoxyphenol?
The InChIKey is NHMGJOVFOGKJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-2-3-4-5-6-10-15-23-20-14-13-19(21(22)17-20)16-18-11-8-7-9-12-18/h7-9,11-14,17,22H,2-6,10,15-16H2,1H3.
What are the key properties of 2-benzyl-5-octoxyphenol?
2-benzyl-5-octoxyphenol has a molecular weight of 312.45 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-octoxyphenol is sourced from PubChem (CID 143162484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).