1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol

C15H24O4 — CID 101485664

IUPAC1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol
SMILESCCOC(OCC)C(O)CCc1cccc(OC)c1
InChIInChI=1S/C15H24O4/c1-4-18-15(19-5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-8,11,14-16H,4-5,9-10H2,1-3H3
InChIKeyOKOTYNZTXXSCOT-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.39
Rot. Bonds9

About 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol

1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol (PubChem CID 101485664) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol
PubChem CID101485664
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol
SMILESCCOC(OCC)C(O)CCc1cccc(OC)c1
InChIInChI=1S/C15H24O4/c1-4-18-15(19-5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-8,11,14-16H,4-5,9-10H2,1-3H3
InChIKeyOKOTYNZTXXSCOT-UHFFFAOYSA-N
XLogP2.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
1-methoxy-3-propylbenzene
CID 14270128
3,3-diethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107852059
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
CID 67187832
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
CID 64541774
1-amino-1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 141047767

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol?
The IUPAC name of 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol (CID 101485664) is 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol is CCOC(OCC)C(O)CCc1cccc(OC)c1.
What is the InChIKey of 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol?
The InChIKey is OKOTYNZTXXSCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-18-15(19-5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-8,11,14-16H,4-5,9-10H2,1-3H3.
What are the key properties of 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol?
1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol has a molecular weight of 268.35 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 101485664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).