1,1-diethoxy-3-(3-methylphenyl)propan-2-ol

C14H22O3 — CID 79496151

IUPAC1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
SMILESCCOC(OCC)C(O)Cc1cccc(C)c1
InChIInChI=1S/C14H22O3/c1-4-16-14(17-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-15H,4-5,10H2,1-3H3
InChIKeyHIOXMGZXRBJTPA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.30
Rot. Bonds7

About 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol

1,1-diethoxy-3-(3-methylphenyl)propan-2-ol (PubChem CID 79496151) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
PubChem CID79496151
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
SMILESCCOC(OCC)C(O)Cc1cccc(C)c1
InChIInChI=1S/C14H22O3/c1-4-16-14(17-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-15H,4-5,10H2,1-3H3
InChIKeyHIOXMGZXRBJTPA-UHFFFAOYSA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.30
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-ethoxy-1-(3-methylphenyl)pentan-2-ol
CID 116711208
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
CID 114978141
1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
CID 79495839
2,2-diethoxy-1-(3-methylphenyl)ethanol
CID 79494986
4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol
CID 115625003
2,4-bis(3-methylphenyl)butane-1,3-diol
CID 67076649
1-ethoxy-1-hydroxy-3-(3-methylphenyl)propan-2-one
CID 129106791
3-ethoxy-1-(3-methylphenyl)pentan-2-amine
CID 116716414
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol?
The IUPAC name of 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol (CID 79496151) is 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol.
What is the SMILES notation for 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol?
The canonical SMILES for 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol is CCOC(OCC)C(O)Cc1cccc(C)c1.
What is the InChIKey of 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol?
The InChIKey is HIOXMGZXRBJTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-16-14(17-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-15H,4-5,10H2,1-3H3.
What are the key properties of 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol?
1,1-diethoxy-3-(3-methylphenyl)propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-(3-methylphenyl)propan-2-ol is sourced from PubChem (CID 79496151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).