2-(1-phenoxynonan-2-yl)phenol

C21H28O2 — CID 175286505

IUPAC2-(1-phenoxynonan-2-yl)phenol
SMILESCCCCCCCC(COc1ccccc1)c1ccccc1O
InChIInChI=1S/C21H28O2/c1-2-3-4-5-7-12-18(20-15-10-11-16-21(20)22)17-23-19-13-8-6-9-14-19/h6,8-11,13-16,18,22H,2-5,7,12,17H2,1H3
InChIKeyQDLAHFXLCHUTSB-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.92
Rot. Bonds10

About 2-(1-phenoxynonan-2-yl)phenol

2-(1-phenoxynonan-2-yl)phenol (PubChem CID 175286505) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-(1-phenoxynonan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-phenoxynonan-2-yl)phenol
PubChem CID175286505
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name2-(1-phenoxynonan-2-yl)phenol
SMILESCCCCCCCC(COc1ccccc1)c1ccccc1O
InChIInChI=1S/C21H28O2/c1-2-3-4-5-7-12-18(20-15-10-11-16-21(20)22)17-23-19-13-8-6-9-14-19/h6,8-11,13-16,18,22H,2-5,7,12,17H2,1H3
InChIKeyQDLAHFXLCHUTSB-UHFFFAOYSA-N
XLogP5.92
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 ≤ 55.92
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

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2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
1-phenoxytetradecan-2-ol
CID 11609222
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
7-(2-hydroxyphenyl)octadecanoic acid
CID 101311355
1-phenoxyheptan-2-ol
CID 12731443
2,6-dimethyldodecoxybenzene
CID 163303723
2,6-dimethyltetradecoxybenzene
CID 163303720
2-(1-phenylnonyl)phenol
CID 67177643
N-methyl-1-phenoxynonan-2-amine
CID 63416660
N-ethyl-1-phenoxydecan-2-amine
CID 63416219

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxynonan-2-yl)phenol?
The IUPAC name of 2-(1-phenoxynonan-2-yl)phenol (CID 175286505) is 2-(1-phenoxynonan-2-yl)phenol.
What is the SMILES notation for 2-(1-phenoxynonan-2-yl)phenol?
The canonical SMILES for 2-(1-phenoxynonan-2-yl)phenol is CCCCCCCC(COc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-(1-phenoxynonan-2-yl)phenol?
The InChIKey is QDLAHFXLCHUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-2-3-4-5-7-12-18(20-15-10-11-16-21(20)22)17-23-19-13-8-6-9-14-19/h6,8-11,13-16,18,22H,2-5,7,12,17H2,1H3.
What are the key properties of 2-(1-phenoxynonan-2-yl)phenol?
2-(1-phenoxynonan-2-yl)phenol has a molecular weight of 312.45 g/mol, XLogP of 5.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxynonan-2-yl)phenol is sourced from PubChem (CID 175286505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).