3-butyl-5-methoxyphenol

C11H16O2 — CID 12836529

IUPAC3-butyl-5-methoxyphenol
SMILESCCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C11H16O2/c1-3-4-5-9-6-10(12)8-11(7-9)13-2/h6-8,12H,3-5H2,1-2H3
InChIKeySVMOUQOWNUSFDE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.74
Rot. Bonds4

About 3-butyl-5-methoxyphenol

3-butyl-5-methoxyphenol (PubChem CID 12836529) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-butyl-5-methoxyphenol.

Molecular Properties

Compound Name3-butyl-5-methoxyphenol
PubChem CID12836529
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-butyl-5-methoxyphenol
SMILESCCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C11H16O2/c1-3-4-5-9-6-10(12)8-11(7-9)13-2/h6-8,12H,3-5H2,1-2H3
InChIKeySVMOUQOWNUSFDE-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
1-butyl-3,5-dimethoxybenzene
CID 524875
3,5-dibutylphenol
CID 15936149
3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423
3-butyl-5-propylphenol
CID 69337384
3-ethoxy-5-octadecylphenol
CID 118876083
CID 175718629
CID 175718629
(3-hydroxy-5-pentylphenyl) 2-hydroxy-4-methoxy-6-propylbenzoate
CID 139587132
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
1-butyl-3-methoxy-5-(trifluoromethyl)benzene
CID 123460618
4-butylphenol;3,5-dibutylphenol
CID 159891553

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methoxyphenol?
The IUPAC name of 3-butyl-5-methoxyphenol (CID 12836529) is 3-butyl-5-methoxyphenol.
What is the SMILES notation for 3-butyl-5-methoxyphenol?
The canonical SMILES for 3-butyl-5-methoxyphenol is CCCCc1cc(O)cc(OC)c1.
What is the InChIKey of 3-butyl-5-methoxyphenol?
The InChIKey is SVMOUQOWNUSFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-4-5-9-6-10(12)8-11(7-9)13-2/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 3-butyl-5-methoxyphenol?
3-butyl-5-methoxyphenol has a molecular weight of 180.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methoxyphenol is sourced from PubChem (CID 12836529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).