1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol

C15H24O4 — CID 70446376

IUPAC1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol
SMILESCCOc1ccc(C(OC)(OC)C(O)C(C)C)cc1
InChIInChI=1S/C15H24O4/c1-6-19-13-9-7-12(8-10-13)15(17-4,18-5)14(16)11(2)3/h7-11,14,16H,6H2,1-5H3
InChIKeyRBNLXKXUDXATPL-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.55
Rot. Bonds7

About 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol

1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol (PubChem CID 70446376) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol
PubChem CID70446376
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol
SMILESCCOc1ccc(C(OC)(OC)C(O)C(C)C)cc1
InChIInChI=1S/C15H24O4/c1-6-19-13-9-7-12(8-10-13)15(17-4,18-5)14(16)11(2)3/h7-11,14,16H,6H2,1-5H3
InChIKeyRBNLXKXUDXATPL-UHFFFAOYSA-N
XLogP2.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.55
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

(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate
CID 19797954
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
amino-(4-ethoxyphenyl)methanol
CID 116939610
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 64769720
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol (CID 70446376) is 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol is CCOc1ccc(C(OC)(OC)C(O)C(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol?
The InChIKey is RBNLXKXUDXATPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-19-13-9-7-12(8-10-13)15(17-4,18-5)14(16)11(2)3/h7-11,14,16H,6H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol?
1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol has a molecular weight of 268.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol is sourced from PubChem (CID 70446376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).