1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene

C25H28O3 — CID 67941962

IUPAC1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene
SMILESCCOC(OCc1cccc(Oc2ccccc2)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C25H28O3/c1-4-26-24(25(2,3)21-13-7-5-8-14-21)27-19-20-12-11-17-23(18-20)28-22-15-9-6-10-16-22/h5-18,24H,4,19H2,1-3H3
InChIKeyVDHZXEKQBPWHTE-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.34
Rot. Bonds9

About 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene

1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene (PubChem CID 67941962) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene.

Molecular Properties

Compound Name1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene
PubChem CID67941962
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene
SMILESCCOC(OCc1cccc(Oc2ccccc2)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C25H28O3/c1-4-26-24(25(2,3)21-13-7-5-8-14-21)27-19-20-12-11-17-23(18-20)28-22-15-9-6-10-16-22/h5-18,24H,4,19H2,1-3H3
InChIKeyVDHZXEKQBPWHTE-UHFFFAOYSA-N
XLogP6.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.34
H-Bond Donors ≤ 50
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-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol
CID 68720967
1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067110
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
1-phenoxy-3-[[(2S)-3,3,3-trifluoro-2-[4-(trifluoromethyl)phenyl]propoxy]methyl]benzene
CID 88526871
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
1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene
CID 21281086
2-chloro-1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067183
(3-phenoxyphenyl)methyl 2-ethyl-4,4-dimethylhexanoate
CID 154979450
1,3-dichloro-5-[3-[3-(3,5-dichlorophenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-yl]oxy-2-methyl-4-(3-phenoxyphenyl)butan-2-yl]benzene
CID 151736708
1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine
CID 67898623
1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene?
The IUPAC name of 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene (CID 67941962) is 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene.
What is the SMILES notation for 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene?
The canonical SMILES for 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene is CCOC(OCc1cccc(Oc2ccccc2)c1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene?
The InChIKey is VDHZXEKQBPWHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c1-4-26-24(25(2,3)21-13-7-5-8-14-21)27-19-20-12-11-17-23(18-20)28-22-15-9-6-10-16-22/h5-18,24H,4,19H2,1-3H3.
What are the key properties of 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene?
1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene has a molecular weight of 376.50 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethoxy-2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene is sourced from PubChem (CID 67941962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).