2,3-dichlorobenzaldehyde;methanol

C8H8Cl2O2 — CID 162040206

IUPAC2,3-dichlorobenzaldehyde;methanol
SMILESCO.O=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C7H4Cl2O.CH4O/c8-6-3-1-2-5(4-10)7(6)9;1-2/h1-4H;2H,1H3
InChIKeyYXEFCHDHXCNXMG-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.41
Rot. Bonds1

About 2,3-dichlorobenzaldehyde;methanol

2,3-dichlorobenzaldehyde;methanol (PubChem CID 162040206) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 2,3-dichlorobenzaldehyde;methanol.

Molecular Properties

Compound Name2,3-dichlorobenzaldehyde;methanol
PubChem CID162040206
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name2,3-dichlorobenzaldehyde;methanol
SMILESCO.O=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C7H4Cl2O.CH4O/c8-6-3-1-2-5(4-10)7(6)9;1-2/h1-4H;2H,1H3
InChIKeyYXEFCHDHXCNXMG-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.41
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

2-chloro-3-methylsulfanylbenzaldehyde
CID 131318711
[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid
CID 81222802
2-[(2,3-dichlorophenyl)methylidene]butan-1-ol
CID 79334969
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde
CID 174675002
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
(2,3-dichlorophenyl)methylidenecarbamic acid
CID 68646175
1,2-dichloro-3-ethenylbenzene;prop-2-enoic acid
CID 174953913
N-(2-chloro-6-formylphenyl)benzamide
CID 175049860
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091079

Frequently Asked Questions

What is the IUPAC name of 2,3-dichlorobenzaldehyde;methanol?
The IUPAC name of 2,3-dichlorobenzaldehyde;methanol (CID 162040206) is 2,3-dichlorobenzaldehyde;methanol.
What is the SMILES notation for 2,3-dichlorobenzaldehyde;methanol?
The canonical SMILES for 2,3-dichlorobenzaldehyde;methanol is CO.O=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichlorobenzaldehyde;methanol?
The InChIKey is YXEFCHDHXCNXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O.CH4O/c8-6-3-1-2-5(4-10)7(6)9;1-2/h1-4H;2H,1H3.
What are the key properties of 2,3-dichlorobenzaldehyde;methanol?
2,3-dichlorobenzaldehyde;methanol has a molecular weight of 207.06 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorobenzaldehyde;methanol is sourced from PubChem (CID 162040206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).