2-ethyl-2-methyl-5-phenoxypentan-1-ol

C14H22O2 — CID 66059804

IUPAC2-ethyl-2-methyl-5-phenoxypentan-1-ol
SMILESCCC(C)(CO)CCCOc1ccccc1
InChIInChI=1S/C14H22O2/c1-3-14(2,12-15)10-7-11-16-13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3
InChIKeyJPQYLLCZKSZXQH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.25
Rot. Bonds7

About 2-ethyl-2-methyl-5-phenoxypentan-1-ol

2-ethyl-2-methyl-5-phenoxypentan-1-ol (PubChem CID 66059804) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethyl-2-methyl-5-phenoxypentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-5-phenoxypentan-1-ol
PubChem CID66059804
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-ethyl-2-methyl-5-phenoxypentan-1-ol
SMILESCCC(C)(CO)CCCOc1ccccc1
InChIInChI=1S/C14H22O2/c1-3-14(2,12-15)10-7-11-16-13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3
InChIKeyJPQYLLCZKSZXQH-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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-methyl-2-(phenoxymethyl)butan-1-ol
CID 86182983
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
2,2-diethyl-5-phenoxypentanenitrile
CID 82138632
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-5-phenoxypentan-1-ol?
The IUPAC name of 2-ethyl-2-methyl-5-phenoxypentan-1-ol (CID 66059804) is 2-ethyl-2-methyl-5-phenoxypentan-1-ol.
What is the SMILES notation for 2-ethyl-2-methyl-5-phenoxypentan-1-ol?
The canonical SMILES for 2-ethyl-2-methyl-5-phenoxypentan-1-ol is CCC(C)(CO)CCCOc1ccccc1.
What is the InChIKey of 2-ethyl-2-methyl-5-phenoxypentan-1-ol?
The InChIKey is JPQYLLCZKSZXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-14(2,12-15)10-7-11-16-13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-5-phenoxypentan-1-ol?
2-ethyl-2-methyl-5-phenoxypentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-5-phenoxypentan-1-ol is sourced from PubChem (CID 66059804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).