5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride

C19H21ClO5 — CID 146330375

IUPAC5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
SMILESCOCCCOc1cc(OCc2ccccc2)c(C(=O)Cl)cc1OC
InChIInChI=1S/C19H21ClO5/c1-22-9-6-10-24-18-12-16(15(19(20)21)11-17(18)23-2)25-13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3
InChIKeyHXWYPALNJUSOGF-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.07
Rot. Bonds10

About 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride

5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride (PubChem CID 146330375) has the molecular formula C19H21ClO5 and a molecular weight of 364.83 g/mol. Its IUPAC name is 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
PubChem CID146330375
Molecular FormulaC19H21ClO5
Molecular Weight364.83 g/mol
Exact Mass364.11
IUPAC Name5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
SMILESCOCCCOc1cc(OCc2ccccc2)c(C(=O)Cl)cc1OC
InChIInChI=1S/C19H21ClO5/c1-22-9-6-10-24-18-12-16(15(19(20)21)11-17(18)23-2)25-13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3
InChIKeyHXWYPALNJUSOGF-UHFFFAOYSA-N
XLogP4.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-nitro-4-phenylmethoxybenzoyl chloride
CID 12506411
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
5-bromo-2,4-bis(phenylmethoxy)benzoyl chloride
CID 77174849
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
2-phenylmethoxybenzoyl chloride
CID 10999355
4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 143825452
1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride
CID 155235624
[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate
CID 59769008

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride?
The IUPAC name of 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride (CID 146330375) is 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride?
The canonical SMILES for 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride is COCCCOc1cc(OCc2ccccc2)c(C(=O)Cl)cc1OC.
What is the InChIKey of 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride?
The InChIKey is HXWYPALNJUSOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO5/c1-22-9-6-10-24-18-12-16(15(19(20)21)11-17(18)23-2)25-13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3.
What are the key properties of 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride?
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride has a molecular weight of 364.83 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 146330375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).