3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol

C25H28O3 — CID 68720967

IUPAC3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol
SMILESCCOc1ccc(C(C)(C)C(O)Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H28O3/c1-4-27-21-15-13-20(14-16-21)25(2,3)24(26)18-19-9-8-12-23(17-19)28-22-10-6-5-7-11-22/h5-17,24,26H,4,18H2,1-3H3
InChIKeyLDVJNOGTFRWZOR-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.76
Rot. Bonds8

About 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol

3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol (PubChem CID 68720967) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol
PubChem CID68720967
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol
SMILESCCOc1ccc(C(C)(C)C(O)Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H28O3/c1-4-27-21-15-13-20(14-16-21)25(2,3)24(26)18-19-9-8-12-23(17-19)28-22-10-6-5-7-11-22/h5-17,24,26H,4,18H2,1-3H3
InChIKeyLDVJNOGTFRWZOR-UHFFFAOYSA-N
XLogP5.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene
CID 67941962
4-[3-[3-(3,4-diethylphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-yl]oxy-2-methyl-4-(3-phenoxyphenyl)butan-2-yl]-1,2-diethylbenzene
CID 150062998
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene
CID 174366645
1-(3-methoxyphenyl)-3-methylpentane-2,3-diol
CID 103448604
6-(4-ethoxyphenyl)-6-methyl-3-(3-phenoxyphenyl)hept-4-ynoic acid
CID 70476258
1-(difluoromethoxy)-4-[2-[3-[4-(difluoromethoxy)phenyl]-3-methyl-1-(3-phenoxyphenyl)pentan-2-yl]oxy-3-methyl-1-(3-phenoxyphenyl)pentan-3-yl]benzene
CID 152671772

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol?
The IUPAC name of 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol (CID 68720967) is 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol is CCOc1ccc(C(C)(C)C(O)Cc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol?
The InChIKey is LDVJNOGTFRWZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c1-4-27-21-15-13-20(14-16-21)25(2,3)24(26)18-19-9-8-12-23(17-19)28-22-10-6-5-7-11-22/h5-17,24,26H,4,18H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol?
3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol has a molecular weight of 376.50 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol is sourced from PubChem (CID 68720967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).