3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde

C23H19NO3 — CID 139978114

IUPAC3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde
SMILESCOc1cccc(C=O)c1-c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C23H19NO3/c1-26-22-9-5-8-17(14-25)23(22)21-13-18-12-19(10-11-20(18)24-21)27-15-16-6-3-2-4-7-16/h2-14,24H,15H2,1H3
InChIKeyHPXNXNLKNXPPRB-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.24
Rot. Bonds6

About 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde

3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde (PubChem CID 139978114) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde
PubChem CID139978114
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde
SMILESCOc1cccc(C=O)c1-c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C23H19NO3/c1-26-22-9-5-8-17(14-25)23(22)21-13-18-12-19(10-11-20(18)24-21)27-15-16-6-3-2-4-7-16/h2-14,24H,15H2,1H3
InChIKeyHPXNXNLKNXPPRB-UHFFFAOYSA-N
XLogP5.24
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.24
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-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde
CID 141043698
2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde
CID 141043685
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
5-phenylmethoxy-2-pyridin-2-yl-1H-indole
CID 44556831
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
5-phenylmethoxy-2-propoxy-1H-indole
CID 151538403
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde
CID 172649512

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde?
The IUPAC name of 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde (CID 139978114) is 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde is COc1cccc(C=O)c1-c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde?
The InChIKey is HPXNXNLKNXPPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-22-9-5-8-17(14-25)23(22)21-13-18-12-19(10-11-20(18)24-21)27-15-16-6-3-2-4-7-16/h2-14,24H,15H2,1H3.
What are the key properties of 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde?
3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde has a molecular weight of 357.41 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde is sourced from PubChem (CID 139978114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).