5-butoxy-2-methylphenol

C11H16O2 — CID 59445644

IUPAC5-butoxy-2-methylphenol
SMILESCCCCOc1ccc(C)c(O)c1
InChIInChI=1S/C11H16O2/c1-3-4-7-13-10-6-5-9(2)11(12)8-10/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyXKTCTJDPQMNYOJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.88
Rot. Bonds4

About 5-butoxy-2-methylphenol

5-butoxy-2-methylphenol (PubChem CID 59445644) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-butoxy-2-methylphenol.

Molecular Properties

Compound Name5-butoxy-2-methylphenol
PubChem CID59445644
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-butoxy-2-methylphenol
SMILESCCCCOc1ccc(C)c(O)c1
InChIInChI=1S/C11H16O2/c1-3-4-7-13-10-6-5-9(2)11(12)8-10/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyXKTCTJDPQMNYOJ-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.88
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

4-hexoxybenzene-1,2-diol
CID 23459322
5-(2-hydroxy-3-tridecoxypropoxy)-2-methylphenol
CID 59445639
3-butoxy-4-methylphenol
CID 54016675
deuterio(fluoro)methane;4-methylbenzene-1,3-diol;2-methyl-5-propoxyphenol;4-methyl-3-propoxyphenol
CID 160770006
5-butoxy-2-phenylphenol
CID 70451587
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
4-butoxy-2-methoxyphenol
CID 53249740
1,2-dimethyl-4-propoxybenzene
CID 23549082
5-(3-heptan-3-yloxy-2-hydroxypropoxy)-2-methylphenol
CID 54296084
CID 68585474
CID 68585474
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-methylphenol?
The IUPAC name of 5-butoxy-2-methylphenol (CID 59445644) is 5-butoxy-2-methylphenol.
What is the SMILES notation for 5-butoxy-2-methylphenol?
The canonical SMILES for 5-butoxy-2-methylphenol is CCCCOc1ccc(C)c(O)c1.
What is the InChIKey of 5-butoxy-2-methylphenol?
The InChIKey is XKTCTJDPQMNYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-4-7-13-10-6-5-9(2)11(12)8-10/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 5-butoxy-2-methylphenol?
5-butoxy-2-methylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-methylphenol is sourced from PubChem (CID 59445644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).