2-ethoxy-6-phenylhexan-2-ol

C14H22O2 — CID 140824356

IUPAC2-ethoxy-6-phenylhexan-2-ol
SMILESCCOC(C)(O)CCCCc1ccccc1
InChIInChI=1S/C14H22O2/c1-3-16-14(2,15)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3
InChIKeyFXOLHFCMRISVKL-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.14
Rot. Bonds7

About 2-ethoxy-6-phenylhexan-2-ol

2-ethoxy-6-phenylhexan-2-ol (PubChem CID 140824356) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethoxy-6-phenylhexan-2-ol.

Molecular Properties

Compound Name2-ethoxy-6-phenylhexan-2-ol
PubChem CID140824356
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-ethoxy-6-phenylhexan-2-ol
SMILESCCOC(C)(O)CCCCc1ccccc1
InChIInChI=1S/C14H22O2/c1-3-16-14(2,15)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3
InChIKeyFXOLHFCMRISVKL-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-phenylhexan-2-ol
CID 12716611
ethyl 2-cyano-2-methyl-6-phenylhexanoate
CID 114334174
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
27,27-dimethyloctacosylbenzene
CID 140589361
4-methyl-1-phenylheptan-4-ol
CID 67874665
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
1,5-diphenylpentane-1,1-diol
CID 67670316
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
4-phenylbutylbenzene
CID 141301927
2-ethoxy-2-methyl-6-phenylhexan-3-amine
CID 116726300
hexylbenzene;hydrogen peroxide
CID 90001206
2,2-dihydroxy-22-phenyldocosanoic acid
CID 54471325

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-phenylhexan-2-ol?
The IUPAC name of 2-ethoxy-6-phenylhexan-2-ol (CID 140824356) is 2-ethoxy-6-phenylhexan-2-ol.
What is the SMILES notation for 2-ethoxy-6-phenylhexan-2-ol?
The canonical SMILES for 2-ethoxy-6-phenylhexan-2-ol is CCOC(C)(O)CCCCc1ccccc1.
What is the InChIKey of 2-ethoxy-6-phenylhexan-2-ol?
The InChIKey is FXOLHFCMRISVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-16-14(2,15)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3.
What are the key properties of 2-ethoxy-6-phenylhexan-2-ol?
2-ethoxy-6-phenylhexan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-phenylhexan-2-ol is sourced from PubChem (CID 140824356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).