5-ethoxy-2-hexylphenol

C14H22O2 — CID 3021981

IUPAC5-ethoxy-2-hexylphenol
SMILESCCCCCCc1ccc(OCC)cc1O
InChIInChI=1S/C14H22O2/c1-3-5-6-7-8-12-9-10-13(16-4-2)11-14(12)15/h9-11,15H,3-8H2,1-2H3
InChIKeyHTCNWWOBQWBRBH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.91
Rot. Bonds7

About 5-ethoxy-2-hexylphenol

5-ethoxy-2-hexylphenol (PubChem CID 3021981) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-ethoxy-2-hexylphenol.

Molecular Properties

Compound Name5-ethoxy-2-hexylphenol
PubChem CID3021981
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-ethoxy-2-hexylphenol
SMILESCCCCCCc1ccc(OCC)cc1O
InChIInChI=1S/C14H22O2/c1-3-5-6-7-8-12-9-10-13(16-4-2)11-14(12)15/h9-11,15H,3-8H2,1-2H3
InChIKeyHTCNWWOBQWBRBH-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.91
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-tricosylbenzene-1,3-diol
CID 101133990
4-butoxy-2-octadecylphenol
CID 21499280
anthracene;4-octadecylbenzene-1,3-diol
CID 88648035
4-(4-heptyl-3-hydroxyphenoxy)benzenesulfonic acid
CID 101291892
2-butyl-5-pentadecylphenol
CID 175271686
5-amino-2-nonylphenol
CID 152595596
5-chloro-2-dodecylphenol
CID 102279992
2-butyl-4-dodecoxyphenol
CID 70607238
6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide
CID 11661279
3-(3,4-diheptylphenoxy)propan-1-ol
CID 21351892
2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
CID 139826466
4-hexoxybenzene-1,2-diol
CID 23459322

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-hexylphenol?
The IUPAC name of 5-ethoxy-2-hexylphenol (CID 3021981) is 5-ethoxy-2-hexylphenol.
What is the SMILES notation for 5-ethoxy-2-hexylphenol?
The canonical SMILES for 5-ethoxy-2-hexylphenol is CCCCCCc1ccc(OCC)cc1O.
What is the InChIKey of 5-ethoxy-2-hexylphenol?
The InChIKey is HTCNWWOBQWBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-5-6-7-8-12-9-10-13(16-4-2)11-14(12)15/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 5-ethoxy-2-hexylphenol?
5-ethoxy-2-hexylphenol has a molecular weight of 222.33 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-hexylphenol is sourced from PubChem (CID 3021981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).