4-(5-ethoxy-2-methylpentyl)phenol

C14H22O2 — CID 174733302

IUPAC4-(5-ethoxy-2-methylpentyl)phenol
SMILESCCOCCCC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-3-16-10-4-5-12(2)11-13-6-8-14(15)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyKNVCVIJOJLBRNY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.39
Rot. Bonds7

About 4-(5-ethoxy-2-methylpentyl)phenol

4-(5-ethoxy-2-methylpentyl)phenol (PubChem CID 174733302) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(5-ethoxy-2-methylpentyl)phenol.

Molecular Properties

Compound Name4-(5-ethoxy-2-methylpentyl)phenol
PubChem CID174733302
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(5-ethoxy-2-methylpentyl)phenol
SMILESCCOCCCC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-3-16-10-4-5-12(2)11-13-6-8-14(15)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyKNVCVIJOJLBRNY-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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-(2,6,8-trimethylnonyl)phenol
CID 155208815
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
4-(4-cyclopentyloxy-2-methylbutyl)phenol
CID 174631344
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-(1-ethoxypropan-2-yl)phenol
CID 91168138
4-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82980754
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
4-(2-aminoethyl)phenol;2-ethoxyethanamine
CID 70105450

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-2-methylpentyl)phenol?
The IUPAC name of 4-(5-ethoxy-2-methylpentyl)phenol (CID 174733302) is 4-(5-ethoxy-2-methylpentyl)phenol.
What is the SMILES notation for 4-(5-ethoxy-2-methylpentyl)phenol?
The canonical SMILES for 4-(5-ethoxy-2-methylpentyl)phenol is CCOCCCC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-(5-ethoxy-2-methylpentyl)phenol?
The InChIKey is KNVCVIJOJLBRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-16-10-4-5-12(2)11-13-6-8-14(15)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(5-ethoxy-2-methylpentyl)phenol?
4-(5-ethoxy-2-methylpentyl)phenol has a molecular weight of 222.33 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-2-methylpentyl)phenol is sourced from PubChem (CID 174733302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).