2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol

C16H26O3 — CID 116543713

IUPAC2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
SMILESCCOC(OCC)C(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C16H26O3/c1-5-18-16(19-6-2)15(17)14-9-7-8-13(11-14)10-12(3)4/h7-9,11-12,15-17H,5-6,10H2,1-4H3
InChIKeyVILXQXVOGGJUEL-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.32
Rot. Bonds8

About 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol

2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol (PubChem CID 116543713) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
PubChem CID116543713
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
SMILESCCOC(OCC)C(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C16H26O3/c1-5-18-16(19-6-2)15(17)14-9-7-8-13(11-14)10-12(3)4/h7-9,11-12,15-17H,5-6,10H2,1-4H3
InChIKeyVILXQXVOGGJUEL-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
2,2-diethoxy-1-(3-methylphenyl)ethanol
CID 79494986
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116720818
1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
CID 175219861
2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713134
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol (CID 116543713) is 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol is CCOC(OCC)C(O)c1cccc(CC(C)C)c1.
What is the InChIKey of 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol?
The InChIKey is VILXQXVOGGJUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-18-16(19-6-2)15(17)14-9-7-8-13(11-14)10-12(3)4/h7-9,11-12,15-17H,5-6,10H2,1-4H3.
What are the key properties of 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol?
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol has a molecular weight of 266.38 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 116543713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).