3,5-dichloro-4-phenylmethoxybenzoyl chloride

C14H9Cl3O2 — CID 11255525

IUPAC3,5-dichloro-4-phenylmethoxybenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H9Cl3O2/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNNBBLPHTDHMFJF-UHFFFAOYSA-N
MW315.58 g/mol
LogP4.95
Rot. Bonds4

About 3,5-dichloro-4-phenylmethoxybenzoyl chloride

3,5-dichloro-4-phenylmethoxybenzoyl chloride (PubChem CID 11255525) has the molecular formula C14H9Cl3O2 and a molecular weight of 315.58 g/mol. Its IUPAC name is 3,5-dichloro-4-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-phenylmethoxybenzoyl chloride
PubChem CID11255525
Molecular FormulaC14H9Cl3O2
Molecular Weight315.58 g/mol
Exact Mass313.97
IUPAC Name3,5-dichloro-4-phenylmethoxybenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H9Cl3O2/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNNBBLPHTDHMFJF-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.58
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride
CID 91685943
2,3-bis[(3,5-dichloro-4-phenylmethoxybenzoyl)oxy]propyl 3,5-dichloro-4-phenylmethoxybenzoate
CID 11445948
3-iodo-5-methoxy-4-phenylmethoxybenzoyl chloride
CID 91689903
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
3-ethoxy-5-iodo-4-phenylmethoxybenzoyl chloride
CID 91682355
(3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063509
3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
CID 91682346
(E)-3-(3,5-dichloro-4-phenylmethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873346
3-[(2,6-dichlorophenoxy)methyl]benzoic acid
CID 19619632
3-chloro-5-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoic acid
CID 178077193

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-phenylmethoxybenzoyl chloride?
The IUPAC name of 3,5-dichloro-4-phenylmethoxybenzoyl chloride (CID 11255525) is 3,5-dichloro-4-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 3,5-dichloro-4-phenylmethoxybenzoyl chloride?
The canonical SMILES for 3,5-dichloro-4-phenylmethoxybenzoyl chloride is O=C(Cl)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-phenylmethoxybenzoyl chloride?
The InChIKey is NNBBLPHTDHMFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O2/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3,5-dichloro-4-phenylmethoxybenzoyl chloride?
3,5-dichloro-4-phenylmethoxybenzoyl chloride has a molecular weight of 315.58 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 11255525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).