methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate

C18H16O5 — CID 178077070

IUPACmethyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c(C2OC=CO2)c1
InChIInChI=1S/C18H16O5/c1-20-17(19)14-7-8-16(15(11-14)18-21-9-10-22-18)23-12-13-5-3-2-4-6-13/h2-11,18H,12H2,1H3
InChIKeyASGNYSGVLVZOPT-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.57
Rot. Bonds5

About methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate

methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate (PubChem CID 178077070) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate
PubChem CID178077070
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Namemethyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c(C2OC=CO2)c1
InChIInChI=1S/C18H16O5/c1-20-17(19)14-7-8-16(15(11-14)18-21-9-10-22-18)23-12-13-5-3-2-4-6-13/h2-11,18H,12H2,1H3
InChIKeyASGNYSGVLVZOPT-UHFFFAOYSA-N
XLogP3.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoic acid
CID 178077157
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
3-chloro-5-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoic acid
CID 178077193
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
CID 18973865
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 167899955
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate?
The IUPAC name of methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate (CID 178077070) is methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate.
What is the SMILES notation for methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate?
The canonical SMILES for methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate is COC(=O)c1ccc(OCc2ccccc2)c(C2OC=CO2)c1.
What is the InChIKey of methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate?
The InChIKey is ASGNYSGVLVZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-17(19)14-7-8-16(15(11-14)18-21-9-10-22-18)23-12-13-5-3-2-4-6-13/h2-11,18H,12H2,1H3.
What are the key properties of methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate?
methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate has a molecular weight of 312.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate is sourced from PubChem (CID 178077070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).