3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride

C16H14Cl2O3 — CID 91682357

IUPAC3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
SMILESCCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H14Cl2O3/c1-2-20-14-9-12(16(18)19)8-13(17)15(14)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyMPZNPWFFYXUPCC-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.70
Rot. Bonds6

About 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride

3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride (PubChem CID 91682357) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
PubChem CID91682357
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
SMILESCCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H14Cl2O3/c1-2-20-14-9-12(16(18)19)8-13(17)15(14)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyMPZNPWFFYXUPCC-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.70
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

3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
CID 91682346
3-ethoxy-5-iodo-4-phenylmethoxybenzoyl chloride
CID 91682355
3-chloro-5-ethoxy-4-phenylmethoxybenzenecarbothioamide
CID 22685956
(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 2302016
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxybenzoic acid
CID 91683362
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 8706924
(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 5408706
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzoic acid
CID 8707119
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride?
The IUPAC name of 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride (CID 91682357) is 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride?
The canonical SMILES for 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride is CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride?
The InChIKey is MPZNPWFFYXUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-2-20-14-9-12(16(18)19)8-13(17)15(14)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride?
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride has a molecular weight of 325.19 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 91682357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).