2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde

C18H16ClNO2 — CID 3733875

IUPAC2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCOc1cc(C)c(Cl)cc1-c1cc2cc(C)ccn2c1C=O
InChIInChI=1S/C18H16ClNO2/c1-11-4-5-20-13(6-11)8-14(17(20)10-21)15-9-16(19)12(2)7-18(15)22-3/h4-10H,1-3H3
InChIKeyPMPNBQDMDCSWEP-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.70
Rot. Bonds3

About 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde

2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde (PubChem CID 3733875) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
PubChem CID3733875
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCOc1cc(C)c(Cl)cc1-c1cc2cc(C)ccn2c1C=O
InChIInChI=1S/C18H16ClNO2/c1-11-4-5-20-13(6-11)8-14(17(20)10-21)15-9-16(19)12(2)7-18(15)22-3/h4-10H,1-3H3
InChIKeyPMPNBQDMDCSWEP-UHFFFAOYSA-N
XLogP4.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde
CID 3761095
2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3786843
2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 5196502
7-methyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 4615625
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
CID 4220459
2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3814349
2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
CID 4680448
2-(3,5-ditert-butyl-4-ethoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3794557
2-(5-tert-butyl-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3696407

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde (CID 3733875) is 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde is COc1cc(C)c(Cl)cc1-c1cc2cc(C)ccn2c1C=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde?
The InChIKey is PMPNBQDMDCSWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-11-4-5-20-13(6-11)8-14(17(20)10-21)15-9-16(19)12(2)7-18(15)22-3/h4-10H,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde?
2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde has a molecular weight of 313.78 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3733875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).