3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal

C18H20O4 — CID 102493094

IUPAC3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal
SMILESCOc1ccc(C(CC=O)OCc2ccccc2)cc1OC
InChIInChI=1S/C18H20O4/c1-20-17-9-8-15(12-18(17)21-2)16(10-11-19)22-13-14-6-4-3-5-7-14/h3-9,11-12,16H,10,13H2,1-2H3
InChIKeyPMJVNHJKGMXVND-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.55
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal

3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal (PubChem CID 102493094) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal
PubChem CID102493094
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal
SMILESCOc1ccc(C(CC=O)OCc2ccccc2)cc1OC
InChIInChI=1S/C18H20O4/c1-20-17-9-8-15(12-18(17)21-2)16(10-11-19)22-13-14-6-4-3-5-7-14/h3-9,11-12,16H,10,13H2,1-2H3
InChIKeyPMJVNHJKGMXVND-UHFFFAOYSA-N
XLogP3.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid
CID 70345355
2-(3,4-dimethoxyphenyl)-4-phenylmethoxybutanal
CID 101441687
3-phenylmethoxypentanedial
CID 154678181
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine
CID 10789198
methanol;3-phenylmethoxybutanal
CID 170758415
tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane
CID 139887815
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
1-(3-methoxy-4-phenylmethoxyphenyl)prop-2-yn-1-ol
CID 15888378
(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutan-1-amine
CID 58945877
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal (CID 102493094) is 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal is COc1ccc(C(CC=O)OCc2ccccc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal?
The InChIKey is PMJVNHJKGMXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-20-17-9-8-15(12-18(17)21-2)16(10-11-19)22-13-14-6-4-3-5-7-14/h3-9,11-12,16H,10,13H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal?
3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal has a molecular weight of 300.35 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal is sourced from PubChem (CID 102493094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).