2-butyl-4-dodecoxyphenol

C22H38O2 — CID 70607238

IUPAC2-butyl-4-dodecoxyphenol
SMILESCCCCCCCCCCCCOc1ccc(O)c(CCCC)c1
InChIInChI=1S/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-18-24-21-16-17-22(23)20(19-21)15-6-4-2/h16-17,19,23H,3-15,18H2,1-2H3
InChIKeyZWWXSVGMUFRMGX-UHFFFAOYSA-N
MW334.54 g/mol
LogP7.03
Rot. Bonds15

About 2-butyl-4-dodecoxyphenol

2-butyl-4-dodecoxyphenol (PubChem CID 70607238) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 2-butyl-4-dodecoxyphenol.

Molecular Properties

Compound Name2-butyl-4-dodecoxyphenol
PubChem CID70607238
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name2-butyl-4-dodecoxyphenol
SMILESCCCCCCCCCCCCOc1ccc(O)c(CCCC)c1
InChIInChI=1S/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-18-24-21-16-17-22(23)20(19-21)15-6-4-2/h16-17,19,23H,3-15,18H2,1-2H3
InChIKeyZWWXSVGMUFRMGX-UHFFFAOYSA-N
XLogP7.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 57.03
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-butoxy-2-octadecylphenol
CID 21499280
4-hexoxybenzene-1,2-diol
CID 23459322
4-hexoxy-2-prop-2-enylphenol;methane
CID 70388285
2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol
CID 139748771
3-(3,4-diheptylphenoxy)propan-1-ol
CID 21351892
2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139769952
ethane-1,2-diol;ethene;4-(4-hydroxy-3-nonylphenoxy)-2-nonylphenol
CID 70254989
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
1,2-bis(5-decoxy-2-hydroxyphenyl)ethane-1,2-dione
CID 11757389
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
5-dodecoxy-2-hydroxybenzonitrile
CID 169297905

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-dodecoxyphenol?
The IUPAC name of 2-butyl-4-dodecoxyphenol (CID 70607238) is 2-butyl-4-dodecoxyphenol.
What is the SMILES notation for 2-butyl-4-dodecoxyphenol?
The canonical SMILES for 2-butyl-4-dodecoxyphenol is CCCCCCCCCCCCOc1ccc(O)c(CCCC)c1.
What is the InChIKey of 2-butyl-4-dodecoxyphenol?
The InChIKey is ZWWXSVGMUFRMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-18-24-21-16-17-22(23)20(19-21)15-6-4-2/h16-17,19,23H,3-15,18H2,1-2H3.
What are the key properties of 2-butyl-4-dodecoxyphenol?
2-butyl-4-dodecoxyphenol has a molecular weight of 334.54 g/mol, XLogP of 7.03, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-dodecoxyphenol is sourced from PubChem (CID 70607238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).