dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate

C23H20O5 — CID 101373230

IUPACdimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1cc(COc2ccccc2)c(-c2ccccc2)cc1C(=O)OC
InChIInChI=1S/C23H20O5/c1-26-22(24)20-13-17(15-28-18-11-7-4-8-12-18)19(14-21(20)23(25)27-2)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3
InChIKeyPRDBWTWTRGWCPS-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.51
Rot. Bonds6

About dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate

dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate (PubChem CID 101373230) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate
PubChem CID101373230
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Namedimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1cc(COc2ccccc2)c(-c2ccccc2)cc1C(=O)OC
InChIInChI=1S/C23H20O5/c1-26-22(24)20-13-17(15-28-18-11-7-4-8-12-18)19(14-21(20)23(25)27-2)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3
InChIKeyPRDBWTWTRGWCPS-UHFFFAOYSA-N
XLogP4.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 82975676
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
methyl 4-amino-3-(phenoxymethyl)benzoate
CID 13399995
methyl 3-bromo-4-(phenoxymethyl)benzoate
CID 957497
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
CID 68872970
2-[2-[4-[(2-bromo-3-methoxycarbonylphenyl)methoxy]phenyl]-4,5-difluorophenyl]acetic acid
CID 71614296
methyl 2-fluoro-6-(phenoxymethyl)benzoate
CID 150404224
methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride
CID 68962145
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate
CID 23024961
2-[(3-bromophenoxy)methyl]benzoic acid;methyl 2-[(3-bromophenoxy)methyl]benzoate
CID 67878013
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate (CID 101373230) is dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate is COC(=O)c1cc(COc2ccccc2)c(-c2ccccc2)cc1C(=O)OC.
What is the InChIKey of dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate?
The InChIKey is PRDBWTWTRGWCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-22(24)20-13-17(15-28-18-11-7-4-8-12-18)19(14-21(20)23(25)27-2)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3.
What are the key properties of dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate?
dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate has a molecular weight of 376.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate is sourced from PubChem (CID 101373230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).