5-butoxy-2-phenylphenol

C16H18O2 — CID 70451587

IUPAC5-butoxy-2-phenylphenol
SMILESCCCCOc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C16H18O2/c1-2-3-11-18-14-9-10-15(16(17)12-14)13-7-5-4-6-8-13/h4-10,12,17H,2-3,11H2,1H3
InChIKeyZAEQPFPNKWOTMD-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.24
Rot. Bonds5

About 5-butoxy-2-phenylphenol

5-butoxy-2-phenylphenol (PubChem CID 70451587) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-butoxy-2-phenylphenol.

Molecular Properties

Compound Name5-butoxy-2-phenylphenol
PubChem CID70451587
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name5-butoxy-2-phenylphenol
SMILESCCCCOc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C16H18O2/c1-2-3-11-18-14-9-10-15(16(17)12-14)13-7-5-4-6-8-13/h4-10,12,17H,2-3,11H2,1H3
InChIKeyZAEQPFPNKWOTMD-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-butoxy-2-phenylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-5-phenylmethoxyphenol
CID 123808909
1,4-dibutoxybenzene;phenol
CID 174756360
5-dodecoxy-2-phenylbenzoic acid
CID 23289015
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
5-butoxy-2-methylphenol
CID 59445644
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
(2-phenyl-4-propoxyphenyl)methanol
CID 134112799
4-hexoxybenzene-1,2-diol
CID 23459322
2-benzyl-5-octoxyphenol
CID 143162484
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 175139599
1-pentoxy-4-phenylbenzene
CID 7021155
2-(4,6-dibenzyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 151805631

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-phenylphenol?
The IUPAC name of 5-butoxy-2-phenylphenol (CID 70451587) is 5-butoxy-2-phenylphenol.
What is the SMILES notation for 5-butoxy-2-phenylphenol?
The canonical SMILES for 5-butoxy-2-phenylphenol is CCCCOc1ccc(-c2ccccc2)c(O)c1.
What is the InChIKey of 5-butoxy-2-phenylphenol?
The InChIKey is ZAEQPFPNKWOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-3-11-18-14-9-10-15(16(17)12-14)13-7-5-4-6-8-13/h4-10,12,17H,2-3,11H2,1H3.
What are the key properties of 5-butoxy-2-phenylphenol?
5-butoxy-2-phenylphenol has a molecular weight of 242.32 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-phenylphenol is sourced from PubChem (CID 70451587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).