3,4-dichloro-5-methoxybenzaldehyde

C8H6Cl2O2 — CID 21483929

IUPAC3,4-dichloro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2O2/c1-12-7-3-5(4-11)2-6(9)8(7)10/h2-4H,1H3
InChIKeyREALYIFKBRVZLC-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.81
Rot. Bonds2

About 3,4-dichloro-5-methoxybenzaldehyde

3,4-dichloro-5-methoxybenzaldehyde (PubChem CID 21483929) has the molecular formula C8H6Cl2O2 and a molecular weight of 205.04 g/mol. Its IUPAC name is 3,4-dichloro-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3,4-dichloro-5-methoxybenzaldehyde
PubChem CID21483929
Molecular FormulaC8H6Cl2O2
Molecular Weight205.04 g/mol
Exact Mass203.97
IUPAC Name3,4-dichloro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2O2/c1-12-7-3-5(4-11)2-6(9)8(7)10/h2-4H,1H3
InChIKeyREALYIFKBRVZLC-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.81
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

3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
CID 167716711
3-chloro-5-methoxy-4-[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 82037921
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922279
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxybenzaldehyde
CID 106438560
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methoxybenzaldehyde?
The IUPAC name of 3,4-dichloro-5-methoxybenzaldehyde (CID 21483929) is 3,4-dichloro-5-methoxybenzaldehyde.
What is the SMILES notation for 3,4-dichloro-5-methoxybenzaldehyde?
The canonical SMILES for 3,4-dichloro-5-methoxybenzaldehyde is COc1cc(C=O)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methoxybenzaldehyde?
The InChIKey is REALYIFKBRVZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2/c1-12-7-3-5(4-11)2-6(9)8(7)10/h2-4H,1H3.
What are the key properties of 3,4-dichloro-5-methoxybenzaldehyde?
3,4-dichloro-5-methoxybenzaldehyde has a molecular weight of 205.04 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-methoxybenzaldehyde is sourced from PubChem (CID 21483929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).