2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde

C18H17NO3 — CID 141043717

IUPAC2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
SMILESCOc1ccc(CC=O)c(-c2cc3cc(OC)ccc3[nH]2)c1
InChIInChI=1S/C18H17NO3/c1-21-14-5-6-17-13(9-14)10-18(19-17)16-11-15(22-2)4-3-12(16)7-8-20/h3-6,8-11,19H,7H2,1-2H3
InChIKeyJCLYKWKWCUCIPY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.59
Rot. Bonds5

About 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde

2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde (PubChem CID 141043717) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
PubChem CID141043717
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
SMILESCOc1ccc(CC=O)c(-c2cc3cc(OC)ccc3[nH]2)c1
InChIInChI=1S/C18H17NO3/c1-21-14-5-6-17-13(9-14)10-18(19-17)16-11-15(22-2)4-3-12(16)7-8-20/h3-6,8-11,19H,7H2,1-2H3
InChIKeyJCLYKWKWCUCIPY-UHFFFAOYSA-N
XLogP3.59
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
CID 141043724
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
N-[2-(5-methoxy-1H-indol-2-yl)phenyl]acetamide
CID 10731437
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
CID 66573117
5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
CID 135496116
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
2-(2-iodo-5-methoxyphenyl)acetaldehyde
CID 18627927
4-methoxy-2-(2-oxoethyl)benzoic acid
CID 75466148
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The IUPAC name of 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde (CID 141043717) is 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The canonical SMILES for 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde is COc1ccc(CC=O)c(-c2cc3cc(OC)ccc3[nH]2)c1.
What is the InChIKey of 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The InChIKey is JCLYKWKWCUCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-14-5-6-17-13(9-14)10-18(19-17)16-11-15(22-2)4-3-12(16)7-8-20/h3-6,8-11,19H,7H2,1-2H3.
What are the key properties of 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde?
2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde has a molecular weight of 295.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde is sourced from PubChem (CID 141043717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).