2-ethoxy-3-methoxybenzoyl chloride

C10H11ClO3 — CID 21314777

IUPAC2-ethoxy-3-methoxybenzoyl chloride
SMILESCCOc1c(OC)cccc1C(=O)Cl
InChIInChI=1S/C10H11ClO3/c1-3-14-9-7(10(11)12)5-4-6-8(9)13-2/h4-6H,3H2,1-2H3
InChIKeyQNWBKBUDIBNWER-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.47
Rot. Bonds4

About 2-ethoxy-3-methoxybenzoyl chloride

2-ethoxy-3-methoxybenzoyl chloride (PubChem CID 21314777) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-ethoxy-3-methoxybenzoyl chloride.

Molecular Properties

Compound Name2-ethoxy-3-methoxybenzoyl chloride
PubChem CID21314777
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-ethoxy-3-methoxybenzoyl chloride
SMILESCCOc1c(OC)cccc1C(=O)Cl
InChIInChI=1S/C10H11ClO3/c1-3-14-9-7(10(11)12)5-4-6-8(9)13-2/h4-6H,3H2,1-2H3
InChIKeyQNWBKBUDIBNWER-UHFFFAOYSA-N
XLogP2.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
2-bromo-1-(2-ethoxy-3-methoxyphenyl)propan-1-one
CID 134618688
2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride
CID 46779695
(E)-3-(2-ethoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 82041550
hexyl 2-ethoxy-3-methoxybenzoate
CID 82186457
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
2-(2-ethoxy-3-methoxyphenyl)acetate
CID 7139419
2-iodo-3-methoxybenzoyl chloride
CID 14104555

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methoxybenzoyl chloride?
The IUPAC name of 2-ethoxy-3-methoxybenzoyl chloride (CID 21314777) is 2-ethoxy-3-methoxybenzoyl chloride.
What is the SMILES notation for 2-ethoxy-3-methoxybenzoyl chloride?
The canonical SMILES for 2-ethoxy-3-methoxybenzoyl chloride is CCOc1c(OC)cccc1C(=O)Cl.
What is the InChIKey of 2-ethoxy-3-methoxybenzoyl chloride?
The InChIKey is QNWBKBUDIBNWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-3-14-9-7(10(11)12)5-4-6-8(9)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethoxy-3-methoxybenzoyl chloride?
2-ethoxy-3-methoxybenzoyl chloride has a molecular weight of 214.65 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methoxybenzoyl chloride is sourced from PubChem (CID 21314777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).