3-butoxy-2,5-dimethylphenol

C12H18O2 — CID 139788128

IUPAC3-butoxy-2,5-dimethylphenol
SMILESCCCCOc1cc(C)cc(O)c1C
InChIInChI=1S/C12H18O2/c1-4-5-6-14-12-8-9(2)7-11(13)10(12)3/h7-8,13H,4-6H2,1-3H3
InChIKeyTUJFLRHUAHFKIR-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.19
Rot. Bonds4

About 3-butoxy-2,5-dimethylphenol

3-butoxy-2,5-dimethylphenol (PubChem CID 139788128) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-butoxy-2,5-dimethylphenol.

Molecular Properties

Compound Name3-butoxy-2,5-dimethylphenol
PubChem CID139788128
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-butoxy-2,5-dimethylphenol
SMILESCCCCOc1cc(C)cc(O)c1C
InChIInChI=1S/C12H18O2/c1-4-5-6-14-12-8-9(2)7-11(13)10(12)3/h7-8,13H,4-6H2,1-3H3
InChIKeyTUJFLRHUAHFKIR-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.19
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-methyl-2-tetradecoxyphenol
CID 19014152
2,5-dibutoxy-3,6-dimethylphenol
CID 90435242
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
5-ethoxy-4-methylbenzene-1,3-diol
CID 130032613
3-butoxy-4-methylphenol
CID 54016675
2-butoxy-1-iodo-4-methylbenzene
CID 174551219
N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 29016141
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1,3-dibutoxy-2-methylbenzene
CID 14475066
3-butoxy-4-fluorophenol
CID 174949463
3,7-dimethyl-1,9-dioctoxydibenzothiophene
CID 58849537

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2,5-dimethylphenol?
The IUPAC name of 3-butoxy-2,5-dimethylphenol (CID 139788128) is 3-butoxy-2,5-dimethylphenol.
What is the SMILES notation for 3-butoxy-2,5-dimethylphenol?
The canonical SMILES for 3-butoxy-2,5-dimethylphenol is CCCCOc1cc(C)cc(O)c1C.
What is the InChIKey of 3-butoxy-2,5-dimethylphenol?
The InChIKey is TUJFLRHUAHFKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-5-6-14-12-8-9(2)7-11(13)10(12)3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 3-butoxy-2,5-dimethylphenol?
3-butoxy-2,5-dimethylphenol has a molecular weight of 194.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2,5-dimethylphenol is sourced from PubChem (CID 139788128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).