2-chloro-3-(2-methoxyphenyl)benzaldehyde

C14H11ClO2 — CID 175756808

IUPAC2-chloro-3-(2-methoxyphenyl)benzaldehyde
SMILESCOc1ccccc1-c1cccc(C=O)c1Cl
InChIInChI=1S/C14H11ClO2/c1-17-13-8-3-2-6-11(13)12-7-4-5-10(9-16)14(12)15/h2-9H,1H3
InChIKeyHYYCGIWIDRZLFT-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-3-(2-methoxyphenyl)benzaldehyde

2-chloro-3-(2-methoxyphenyl)benzaldehyde (PubChem CID 175756808) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-chloro-3-(2-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-3-(2-methoxyphenyl)benzaldehyde
PubChem CID175756808
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name2-chloro-3-(2-methoxyphenyl)benzaldehyde
SMILESCOc1ccccc1-c1cccc(C=O)c1Cl
InChIInChI=1S/C14H11ClO2/c1-17-13-8-3-2-6-11(13)12-7-4-5-10(9-16)14(12)15/h2-9H,1H3
InChIKeyHYYCGIWIDRZLFT-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741
1,4-diphenoxybenzene;ethane;tris(2-(2-methoxyphenyl)benzaldehyde)
CID 145045586
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
6-(2-methoxyphenyl)-1,3-benzodioxole-5-carbaldehyde
CID 172909252
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
1-ethenyl-2-(2-methoxyphenyl)benzene
CID 150139111
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371
2-(2-formylphenoxy)-6-methoxybenzaldehyde
CID 102334226
5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-methoxyphenyl)benzaldehyde?
The IUPAC name of 2-chloro-3-(2-methoxyphenyl)benzaldehyde (CID 175756808) is 2-chloro-3-(2-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 2-chloro-3-(2-methoxyphenyl)benzaldehyde?
The canonical SMILES for 2-chloro-3-(2-methoxyphenyl)benzaldehyde is COc1ccccc1-c1cccc(C=O)c1Cl.
What is the InChIKey of 2-chloro-3-(2-methoxyphenyl)benzaldehyde?
The InChIKey is HYYCGIWIDRZLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-17-13-8-3-2-6-11(13)12-7-4-5-10(9-16)14(12)15/h2-9H,1H3.
What are the key properties of 2-chloro-3-(2-methoxyphenyl)benzaldehyde?
2-chloro-3-(2-methoxyphenyl)benzaldehyde has a molecular weight of 246.69 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 175756808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).