2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde

C24H21NO3 — CID 141043698

IUPAC2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde
SMILESCOc1ccccc1C(C=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C24H21NO3/c1-27-24-10-6-5-9-20(24)21(15-26)23-14-18-13-19(11-12-22(18)25-23)28-16-17-7-3-2-4-8-17/h2-15,21,25H,16H2,1H3
InChIKeySDBCURKPXHFGOI-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.09
Rot. Bonds7

About 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde

2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde (PubChem CID 141043698) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde
PubChem CID141043698
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde
SMILESCOc1ccccc1C(C=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C24H21NO3/c1-27-24-10-6-5-9-20(24)21(15-26)23-14-18-13-19(11-12-22(18)25-23)28-16-17-7-3-2-4-8-17/h2-15,21,25H,16H2,1H3
InChIKeySDBCURKPXHFGOI-UHFFFAOYSA-N
XLogP5.09
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.09
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

3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde
CID 139978114
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
CID 10564721
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
5-phenylmethoxy-2-propoxy-1H-indole
CID 151538403
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
3-(2-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
CID 123516675
CID 123516675

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde?
The IUPAC name of 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde (CID 141043698) is 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde is COc1ccccc1C(C=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde?
The InChIKey is SDBCURKPXHFGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-27-24-10-6-5-9-20(24)21(15-26)23-14-18-13-19(11-12-22(18)25-23)28-16-17-7-3-2-4-8-17/h2-15,21,25H,16H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde?
2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde has a molecular weight of 371.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde is sourced from PubChem (CID 141043698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).