3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde

C16H15ClO3 — CID 82039295

IUPAC3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(-c2cccc(Cl)c2C)c1OC
InChIInChI=1S/C16H15ClO3/c1-10-12(5-4-6-14(10)17)13-7-11(9-18)8-15(19-2)16(13)20-3/h4-9H,1-3H3
InChIKeyXHXNXTXUFWOXNJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.15
Rot. Bonds4

About 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde

3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde (PubChem CID 82039295) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde
PubChem CID82039295
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(-c2cccc(Cl)c2C)c1OC
InChIInChI=1S/C16H15ClO3/c1-10-12(5-4-6-14(10)17)13-7-11(9-18)8-15(19-2)16(13)20-3/h4-9H,1-3H3
InChIKeyXHXNXTXUFWOXNJ-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.15
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

3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde
CID 82039287
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde
CID 82039124
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
3-chloro-5-methoxy-4-[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 82037921
(4-formyl-2-iodo-6-methoxyphenyl) 2-chlorobenzoate
CID 4766801
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
CID 167716711
3,5-dimethoxy-4-(3-methylphenyl)benzaldehyde
CID 87212227
3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
CID 82039088
5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde
CID 96599344
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde (CID 82039295) is 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde is COc1cc(C=O)cc(-c2cccc(Cl)c2C)c1OC.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde?
The InChIKey is XHXNXTXUFWOXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10-12(5-4-6-14(10)17)13-7-11(9-18)8-15(19-2)16(13)20-3/h4-9H,1-3H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde?
3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde has a molecular weight of 290.75 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 82039295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).