2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene

C19H24O4 — CID 174802138

IUPAC2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene
SMILESCOc1cc(C)cc(OC)c1OC.Cc1ccc(CC=O)cc1
InChIInChI=1S/C10H14O3.C9H10O/c1-7-5-8(11-2)10(13-4)9(6-7)12-3;1-8-2-4-9(5-3-8)6-7-10/h5-6H,1-4H3;2-5,7H,6H2,1H3
InChIKeyJEGIUBUJULUTBE-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene

2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene (PubChem CID 174802138) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene.

Molecular Properties

Compound Name2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene
PubChem CID174802138
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene
SMILESCOc1cc(C)cc(OC)c1OC.Cc1ccc(CC=O)cc1
InChIInChI=1S/C10H14O3.C9H10O/c1-7-5-8(11-2)10(13-4)9(6-7)12-3;1-8-2-4-9(5-3-8)6-7-10/h5-6H,1-4H3;2-5,7H,6H2,1H3
InChIKeyJEGIUBUJULUTBE-UHFFFAOYSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.76
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-(3-bromo-4,5-dimethoxyphenyl)acetaldehyde
CID 59259548
ethane;4-methylbenzaldehyde;2-(4-methylphenyl)acetaldehyde
CID 142611511
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186
(4-methylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 91929332
3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde
CID 7138957
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
ethane;2-[4-(2-oxoethyl)phenyl]acetaldehyde
CID 90946532
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 141151486
(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 18739111
3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide
CID 110601722

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene?
The IUPAC name of 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene (CID 174802138) is 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene.
What is the SMILES notation for 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene?
The canonical SMILES for 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene is COc1cc(C)cc(OC)c1OC.Cc1ccc(CC=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene?
The InChIKey is JEGIUBUJULUTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.C9H10O/c1-7-5-8(11-2)10(13-4)9(6-7)12-3;1-8-2-4-9(5-3-8)6-7-10/h5-6H,1-4H3;2-5,7H,6H2,1H3.
What are the key properties of 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene?
2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene has a molecular weight of 316.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene is sourced from PubChem (CID 174802138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).