2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde

C27H30O5 — CID 58716566

IUPAC2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde
SMILESCOc1c(C)c(Cc2ccc(CCc3ccccc3)c(C=O)c2)c(OC)c(OC)c1OC
InChIInChI=1S/C27H30O5/c1-18-23(25(30-3)27(32-5)26(31-4)24(18)29-2)16-20-12-14-21(22(15-20)17-28)13-11-19-9-7-6-8-10-19/h6-10,12,14-15,17H,11,13,16H2,1-5H3
InChIKeyHXAIKSUIJXOGME-UHFFFAOYSA-N
MW434.53 g/mol
LogP5.22
Rot. Bonds10

About 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde

2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde (PubChem CID 58716566) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde
PubChem CID58716566
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde
SMILESCOc1c(C)c(Cc2ccc(CCc3ccccc3)c(C=O)c2)c(OC)c(OC)c1OC
InChIInChI=1S/C27H30O5/c1-18-23(25(30-3)27(32-5)26(31-4)24(18)29-2)16-20-12-14-21(22(15-20)17-28)13-11-19-9-7-6-8-10-19/h6-10,12,14-15,17H,11,13,16H2,1-5H3
InChIKeyHXAIKSUIJXOGME-UHFFFAOYSA-N
XLogP5.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetramethoxy-5-[(4-methoxyphenyl)methyl]-6-methylbenzene
CID 142654799
1,3-didiazopropan-2-one;3-[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]propanoic acid
CID 160981987
2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid
CID 174452504
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
2,5-bis(2-methoxyethyl)benzaldehyde
CID 123268427
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548
2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde
CID 139994575
1,3-didiazopropan-2-one;4-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzoic acid
CID 161052848
4-benzyl-2-methoxy-3-(3-phenylphenyl)benzaldehyde
CID 139491698
2-hydroxy-5-(2-phenylethyl)benzaldehyde
CID 101003215
5-bromo-3-methoxy-2-(3-phenylpropoxy)benzaldehyde
CID 20993049

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde?
The IUPAC name of 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde (CID 58716566) is 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde.
What is the SMILES notation for 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde?
The canonical SMILES for 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde is COc1c(C)c(Cc2ccc(CCc3ccccc3)c(C=O)c2)c(OC)c(OC)c1OC.
What is the InChIKey of 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde?
The InChIKey is HXAIKSUIJXOGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O5/c1-18-23(25(30-3)27(32-5)26(31-4)24(18)29-2)16-20-12-14-21(22(15-20)17-28)13-11-19-9-7-6-8-10-19/h6-10,12,14-15,17H,11,13,16H2,1-5H3.
What are the key properties of 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde?
2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde has a molecular weight of 434.53 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde is sourced from PubChem (CID 58716566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).