5-butyl-2-phenoxyphenol

C16H18O2 — CID 5274975

IUPAC5-butyl-2-phenoxyphenol
SMILESCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C16H18O2/c1-2-3-7-13-10-11-16(15(17)12-13)18-14-8-5-4-6-9-14/h4-6,8-12,17H,2-3,7H2,1H3
InChIKeyGAICIHBRANQBDZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.53
Rot. Bonds5

About 5-butyl-2-phenoxyphenol

5-butyl-2-phenoxyphenol (PubChem CID 5274975) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-butyl-2-phenoxyphenol.

Molecular Properties

Compound Name5-butyl-2-phenoxyphenol
PubChem CID5274975
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name5-butyl-2-phenoxyphenol
SMILESCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C16H18O2/c1-2-3-7-13-10-11-16(15(17)12-13)18-14-8-5-4-6-9-14/h4-6,8-12,17H,2-3,7H2,1H3
InChIKeyGAICIHBRANQBDZ-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-phenoxyphenol?
The IUPAC name of 5-butyl-2-phenoxyphenol (CID 5274975) is 5-butyl-2-phenoxyphenol.
What is the SMILES notation for 5-butyl-2-phenoxyphenol?
The canonical SMILES for 5-butyl-2-phenoxyphenol is CCCCc1ccc(Oc2ccccc2)c(O)c1.
What is the InChIKey of 5-butyl-2-phenoxyphenol?
The InChIKey is GAICIHBRANQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-3-7-13-10-11-16(15(17)12-13)18-14-8-5-4-6-9-14/h4-6,8-12,17H,2-3,7H2,1H3.
What are the key properties of 5-butyl-2-phenoxyphenol?
5-butyl-2-phenoxyphenol has a molecular weight of 242.32 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-phenoxyphenol is sourced from PubChem (CID 5274975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).