2-(1-phenoxybutyl)phenol

C16H18O2 — CID 67180489

IUPAC2-(1-phenoxybutyl)phenol
SMILESCCCC(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H18O2/c1-2-8-16(14-11-6-7-12-15(14)17)18-13-9-4-3-5-10-13/h3-7,9-12,16-17H,2,8H2,1H3
InChIKeyZZHLMSQRTGURRD-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.31
Rot. Bonds5

About 2-(1-phenoxybutyl)phenol

2-(1-phenoxybutyl)phenol (PubChem CID 67180489) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-phenoxybutyl)phenol.

Molecular Properties

Compound Name2-(1-phenoxybutyl)phenol
PubChem CID67180489
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-(1-phenoxybutyl)phenol
SMILESCCCC(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H18O2/c1-2-8-16(14-11-6-7-12-15(14)17)18-13-9-4-3-5-10-13/h3-7,9-12,16-17H,2,8H2,1H3
InChIKeyZZHLMSQRTGURRD-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenoxybutyl)benzaldehyde
CID 174592510
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
3-methylhexan-2-yloxybenzene
CID 150585965
3-(2-methoxyphenyl)-3-phenoxypropan-1-amine
CID 112501709
2-amino-2-[4-chloro-2-(1-phenoxybutyl)phenyl]-2-hydroxyacetaldehyde
CID 174646596
2-pentadecan-6-ylphenol
CID 66865451
sodium 2-phenoxypentanoate
CID 59946136
hydroxy-phenoxy-dipropylphosphanium
CID 69049666
2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol
CID 101104317
2-phenoxypentaneperoxoic acid
CID 18459699
2-(1-phenylpentyl)phenol
CID 19601156

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxybutyl)phenol?
The IUPAC name of 2-(1-phenoxybutyl)phenol (CID 67180489) is 2-(1-phenoxybutyl)phenol.
What is the SMILES notation for 2-(1-phenoxybutyl)phenol?
The canonical SMILES for 2-(1-phenoxybutyl)phenol is CCCC(Oc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-(1-phenoxybutyl)phenol?
The InChIKey is ZZHLMSQRTGURRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-8-16(14-11-6-7-12-15(14)17)18-13-9-4-3-5-10-13/h3-7,9-12,16-17H,2,8H2,1H3.
What are the key properties of 2-(1-phenoxybutyl)phenol?
2-(1-phenoxybutyl)phenol has a molecular weight of 242.32 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxybutyl)phenol is sourced from PubChem (CID 67180489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).