3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol

C16H26O3 — CID 116713469

IUPAC3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
SMILESCCOC(C(O)Cc1ccccc1OC)C(C)(C)C
InChIInChI=1S/C16H26O3/c1-6-19-15(16(2,3)4)13(17)11-12-9-7-8-10-14(12)18-5/h7-10,13,15,17H,6,11H2,1-5H3
InChIKeyHUBXJSOXOPNMFO-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.05
Rot. Bonds6

About 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol

3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol (PubChem CID 116713469) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
PubChem CID116713469
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
SMILESCCOC(C(O)Cc1ccccc1OC)C(C)(C)C
InChIInChI=1S/C16H26O3/c1-6-19-15(16(2,3)4)13(17)11-12-9-7-8-10-14(12)18-5/h7-10,13,15,17H,6,11H2,1-5H3
InChIKeyHUBXJSOXOPNMFO-UHFFFAOYSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 116724723
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713553
3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
CID 116725535
1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713299
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(4-tert-butylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61089438
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol (CID 116713469) is 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol is CCOC(C(O)Cc1ccccc1OC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol?
The InChIKey is HUBXJSOXOPNMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-6-19-15(16(2,3)4)13(17)11-12-9-7-8-10-14(12)18-5/h7-10,13,15,17H,6,11H2,1-5H3.
What are the key properties of 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol?
3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 116713469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).