1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol

C15H24O3 — CID 79495839

IUPAC1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
SMILESCCOC(OCC)C(O)Cc1ccc(CC)cc1
InChIInChI=1S/C15H24O3/c1-4-12-7-9-13(10-8-12)11-14(16)15(17-5-2)18-6-3/h7-10,14-16H,4-6,11H2,1-3H3
InChIKeyILTYUBOTWOCCMI-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.55
Rot. Bonds8

About 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol

1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol (PubChem CID 79495839) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
PubChem CID79495839
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
SMILESCCOC(OCC)C(O)Cc1ccc(CC)cc1
InChIInChI=1S/C15H24O3/c1-4-12-7-9-13(10-8-12)11-14(16)15(17-5-2)18-6-3/h7-10,14-16H,4-6,11H2,1-3H3
InChIKeyILTYUBOTWOCCMI-UHFFFAOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.55
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

3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
CID 79496151
3-(4-ethylphenyl)-1,1-difluoropropan-2-ol
CID 112575617
1,1-diethoxy-4-(4-methylphenyl)butan-2-ol
CID 101485666
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
CID 79496432
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
3-(4-aminophenyl)-2-ethoxypropane-1,1-diol
CID 143824751
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
1,1-diethoxy-3-methyl-4-phenylbutan-2-ol
CID 101485670
1,1-diethoxy-3-(4-methylphenyl)propan-2-amine
CID 79495466

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol?
The IUPAC name of 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol (CID 79495839) is 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol.
What is the SMILES notation for 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol?
The canonical SMILES for 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol is CCOC(OCC)C(O)Cc1ccc(CC)cc1.
What is the InChIKey of 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol?
The InChIKey is ILTYUBOTWOCCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-12-7-9-13(10-8-12)11-14(16)15(17-5-2)18-6-3/h7-10,14-16H,4-6,11H2,1-3H3.
What are the key properties of 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol?
1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol is sourced from PubChem (CID 79495839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).