2,4-dichloro-1-ethoxybenzene;formic acid

C9H10Cl2O3 — CID 145046183

IUPAC2,4-dichloro-1-ethoxybenzene;formic acid
SMILESCCOc1ccc(Cl)cc1Cl.O=CO
InChIInChI=1S/C8H8Cl2O.CH2O2/c1-2-11-8-4-3-6(9)5-7(8)10;2-1-3/h3-5H,2H2,1H3;1H,(H,2,3)
InChIKeyHZBOLAJFZVSTCJ-UHFFFAOYSA-N
MW237.08 g/mol
LogP3.09
Rot. Bonds2

About 2,4-dichloro-1-ethoxybenzene;formic acid

2,4-dichloro-1-ethoxybenzene;formic acid (PubChem CID 145046183) has the molecular formula C9H10Cl2O3 and a molecular weight of 237.08 g/mol. Its IUPAC name is 2,4-dichloro-1-ethoxybenzene;formic acid.

Molecular Properties

Compound Name2,4-dichloro-1-ethoxybenzene;formic acid
PubChem CID145046183
Molecular FormulaC9H10Cl2O3
Molecular Weight237.08 g/mol
Exact Mass236.00
IUPAC Name2,4-dichloro-1-ethoxybenzene;formic acid
SMILESCCOc1ccc(Cl)cc1Cl.O=CO
InChIInChI=1S/C8H8Cl2O.CH2O2/c1-2-11-8-4-3-6(9)5-7(8)10;2-1-3/h3-5H,2H2,1H3;1H,(H,2,3)
InChIKeyHZBOLAJFZVSTCJ-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 53.09
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

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
3-chloro-4-ethoxybenzoate
CID 6927202
5-chloro-2-ethoxybenzenethiol
CID 91656523
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
2,4-dichloro-1-(methylsulfinylmethoxy)benzene
CID 68577849

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-ethoxybenzene;formic acid?
The IUPAC name of 2,4-dichloro-1-ethoxybenzene;formic acid (CID 145046183) is 2,4-dichloro-1-ethoxybenzene;formic acid.
What is the SMILES notation for 2,4-dichloro-1-ethoxybenzene;formic acid?
The canonical SMILES for 2,4-dichloro-1-ethoxybenzene;formic acid is CCOc1ccc(Cl)cc1Cl.O=CO.
What is the InChIKey of 2,4-dichloro-1-ethoxybenzene;formic acid?
The InChIKey is HZBOLAJFZVSTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O.CH2O2/c1-2-11-8-4-3-6(9)5-7(8)10;2-1-3/h3-5H,2H2,1H3;1H,(H,2,3).
What are the key properties of 2,4-dichloro-1-ethoxybenzene;formic acid?
2,4-dichloro-1-ethoxybenzene;formic acid has a molecular weight of 237.08 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-ethoxybenzene;formic acid is sourced from PubChem (CID 145046183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).