2-butoxy-3-ethylphenol

C12H18O2 — CID 67732111

IUPAC2-butoxy-3-ethylphenol
SMILESCCCCOc1c(O)cccc1CC
InChIInChI=1S/C12H18O2/c1-3-5-9-14-12-10(4-2)7-6-8-11(12)13/h6-8,13H,3-5,9H2,1-2H3
InChIKeyPVJVZASCSDKABV-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.13
Rot. Bonds5

About 2-butoxy-3-ethylphenol

2-butoxy-3-ethylphenol (PubChem CID 67732111) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-butoxy-3-ethylphenol.

Molecular Properties

Compound Name2-butoxy-3-ethylphenol
PubChem CID67732111
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-butoxy-3-ethylphenol
SMILESCCCCOc1c(O)cccc1CC
InChIInChI=1S/C12H18O2/c1-3-5-9-14-12-10(4-2)7-6-8-11(12)13/h6-8,13H,3-5,9H2,1-2H3
InChIKeyPVJVZASCSDKABV-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.13
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

2-butoxybenzene-1,3-diol
CID 101011168
bis(3-ethyl-2-hexoxyphenol);2-methoxyphenol;triazine
CID 68623566
2,3-dipentoxyphenol
CID 57426098
CID 174953197
CID 174953197
butyl 2-ethoxy-3-ethylbenzoate
CID 141402321
1-(3-hydroxy-2-pentoxyphenyl)butan-1-one
CID 174801179
3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
CID 66601021
N-(3-ethyl-2-pentoxyphenyl)butanamide
CID 71107194
3-ethyl-2-phenoxyphenol
CID 66865882
2-butoxy-3-butylbenzoic acid
CID 22223226
methyl 3-hydroxy-2-tetradecoxybenzoate
CID 19014178
5-pentoxynaphthalen-1-ol
CID 67823980

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-ethylphenol?
The IUPAC name of 2-butoxy-3-ethylphenol (CID 67732111) is 2-butoxy-3-ethylphenol.
What is the SMILES notation for 2-butoxy-3-ethylphenol?
The canonical SMILES for 2-butoxy-3-ethylphenol is CCCCOc1c(O)cccc1CC.
What is the InChIKey of 2-butoxy-3-ethylphenol?
The InChIKey is PVJVZASCSDKABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-5-9-14-12-10(4-2)7-6-8-11(12)13/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of 2-butoxy-3-ethylphenol?
2-butoxy-3-ethylphenol has a molecular weight of 194.27 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-ethylphenol is sourced from PubChem (CID 67732111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).