5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride

C24H14Cl4O6 — CID 10816271

IUPAC5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1cc(OCc2ccc(COc3cc(C(=O)Cl)cc(C(=O)Cl)c3)cc2)cc(C(=O)Cl)c1
InChIInChI=1S/C24H14Cl4O6/c25-21(29)15-5-16(22(26)30)8-19(7-15)33-11-13-1-2-14(4-3-13)12-34-20-9-17(23(27)31)6-18(10-20)24(28)32/h1-10H,11-12H2
InChIKeyLLPAROVBSCXVDI-UHFFFAOYSA-N
MW540.18 g/mol
LogP6.36
Rot. Bonds10

About 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride

5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride (PubChem CID 10816271) has the molecular formula C24H14Cl4O6 and a molecular weight of 540.18 g/mol. Its IUPAC name is 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride
PubChem CID10816271
Molecular FormulaC24H14Cl4O6
Molecular Weight540.18 g/mol
Exact Mass537.95
IUPAC Name5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1cc(OCc2ccc(COc3cc(C(=O)Cl)cc(C(=O)Cl)c3)cc2)cc(C(=O)Cl)c1
InChIInChI=1S/C24H14Cl4O6/c25-21(29)15-5-16(22(26)30)8-19(7-15)33-11-13-1-2-14(4-3-13)12-34-20-9-17(23(27)31)6-18(10-20)24(28)32/h1-10H,11-12H2
InChIKeyLLPAROVBSCXVDI-UHFFFAOYSA-N
XLogP6.36
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.18
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3,5-bis[(4-tert-butylphenyl)methoxy]benzoate
CID 135035006
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
dimethyl 5-[[3-[[3,5-bis[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
CID 23245644
3,5-bis(phenylmethoxy)benzoate
CID 6986896
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
(3,5-dicarbonochloridoylphenyl) carbonochloridate
CID 21468247
4-[[3-[(4-carboxyphenyl)methoxy]-5-[(4-formyloxyphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 58868231
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
[3-(chlorooxymethyl)-5-(3,5-dicarbonochloridoylphenyl)phenyl]methyl hypochlorite
CID 88934882
diethyl 5-[(4-cyanophenyl)methoxy]benzene-1,3-dicarboxylate
CID 7643441

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride?
The IUPAC name of 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride (CID 10816271) is 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride?
The canonical SMILES for 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride is O=C(Cl)c1cc(OCc2ccc(COc3cc(C(=O)Cl)cc(C(=O)Cl)c3)cc2)cc(C(=O)Cl)c1.
What is the InChIKey of 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride?
The InChIKey is LLPAROVBSCXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl4O6/c25-21(29)15-5-16(22(26)30)8-19(7-15)33-11-13-1-2-14(4-3-13)12-34-20-9-17(23(27)31)6-18(10-20)24(28)32/h1-10H,11-12H2.
What are the key properties of 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride?
5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride has a molecular weight of 540.18 g/mol, XLogP of 6.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 10816271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).