2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde

C23H18ClNO2 — CID 141043685

IUPAC2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde
SMILESO=CCc1cccc(Cl)c1-c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C23H18ClNO2/c24-20-8-4-7-17(11-12-26)23(20)22-14-18-13-19(9-10-21(18)25-22)27-15-16-5-2-1-3-6-16/h1-10,12-14,25H,11,15H2
InChIKeyFQPVBCPZNUUKCB-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.81
Rot. Bonds6

About 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde

2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde (PubChem CID 141043685) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde
PubChem CID141043685
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde
SMILESO=CCc1cccc(Cl)c1-c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C23H18ClNO2/c24-20-8-4-7-17(11-12-26)23(20)22-14-18-13-19(9-10-21(18)25-22)27-15-16-5-2-1-3-6-16/h1-10,12-14,25H,11,15H2
InChIKeyFQPVBCPZNUUKCB-UHFFFAOYSA-N
XLogP5.81
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
5-phenylmethoxy-2-pyridin-2-yl-1H-indole
CID 44556831
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
CID 118578588
5-phenylmethoxy-2-propoxy-1H-indole
CID 151538403
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde
CID 141043698
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
CID 10564721

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The IUPAC name of 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde (CID 141043685) is 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The canonical SMILES for 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde is O=CCc1cccc(Cl)c1-c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The InChIKey is FQPVBCPZNUUKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c24-20-8-4-7-17(11-12-26)23(20)22-14-18-13-19(9-10-21(18)25-22)27-15-16-5-2-1-3-6-16/h1-10,12-14,25H,11,15H2.
What are the key properties of 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde?
2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde has a molecular weight of 375.86 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(5-phenylmethoxy-1H-indol-2-yl)phenyl]acetaldehyde is sourced from PubChem (CID 141043685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).