dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate

C17H16O5 — CID 7643390

IUPACdimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C17H16O5/c1-20-16(18)13-8-14(17(19)21-2)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyBOQCORYQJJYJTF-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.84
Rot. Bonds5

About dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate

dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate (PubChem CID 7643390) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
PubChem CID7643390
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Namedimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C17H16O5/c1-20-16(18)13-8-14(17(19)21-2)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyBOQCORYQJJYJTF-UHFFFAOYSA-N
XLogP2.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
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
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 3-(1-cyanopropyl)-5-phenylmethoxybenzoate
CID 91040171
dimethyl 5-(6-phenylhexoxy)benzene-1,3-dicarboxylate
CID 19930284
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate (CID 7643390) is dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate is COC(=O)c1cc(OCc2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate?
The InChIKey is BOQCORYQJJYJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-20-16(18)13-8-14(17(19)21-2)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate?
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 7643390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).