2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene

C19H24O3 — CID 3847093

IUPAC2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene
SMILESCCOC(OCC)c1cc(OCc2ccccc2)ccc1C
InChIInChI=1S/C19H24O3/c1-4-20-19(21-5-2)18-13-17(12-11-15(18)3)22-14-16-9-7-6-8-10-16/h6-13,19H,4-5,14H2,1-3H3
InChIKeyMRIIDZYKFOLVBI-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.65
Rot. Bonds8

About 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene

2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene (PubChem CID 3847093) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene
PubChem CID3847093
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene
SMILESCCOC(OCC)c1cc(OCc2ccccc2)ccc1C
InChIInChI=1S/C19H24O3/c1-4-20-19(21-5-2)18-13-17(12-11-15(18)3)22-14-16-9-7-6-8-10-16/h6-13,19H,4-5,14H2,1-3H3
InChIKeyMRIIDZYKFOLVBI-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.65
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

ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
CID 22345861
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 4210839
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
CID 90477082
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene?
The IUPAC name of 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene (CID 3847093) is 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene.
What is the SMILES notation for 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene?
The canonical SMILES for 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene is CCOC(OCC)c1cc(OCc2ccccc2)ccc1C.
What is the InChIKey of 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene?
The InChIKey is MRIIDZYKFOLVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-20-19(21-5-2)18-13-17(12-11-15(18)3)22-14-16-9-7-6-8-10-16/h6-13,19H,4-5,14H2,1-3H3.
What are the key properties of 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene?
2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene has a molecular weight of 300.40 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene is sourced from PubChem (CID 3847093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).