methyl 2,6-dimethoxy-3-phenylbenzoate

C16H16O4 — CID 142664398

IUPACmethyl 2,6-dimethoxy-3-phenylbenzoate
SMILESCOC(=O)c1c(OC)ccc(-c2ccccc2)c1OC
InChIInChI=1S/C16H16O4/c1-18-13-10-9-12(11-7-5-4-6-8-11)15(19-2)14(13)16(17)20-3/h4-10H,1-3H3
InChIKeyREZFDSCGKBXZRA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.16
Rot. Bonds4

About methyl 2,6-dimethoxy-3-phenylbenzoate

methyl 2,6-dimethoxy-3-phenylbenzoate (PubChem CID 142664398) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2,6-dimethoxy-3-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2,6-dimethoxy-3-phenylbenzoate
PubChem CID142664398
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 2,6-dimethoxy-3-phenylbenzoate
SMILESCOC(=O)c1c(OC)ccc(-c2ccccc2)c1OC
InChIInChI=1S/C16H16O4/c1-18-13-10-9-12(11-7-5-4-6-8-11)15(19-2)14(13)16(17)20-3/h4-10H,1-3H3
InChIKeyREZFDSCGKBXZRA-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
methyl 2,6-dimethyl-3-phenylbenzoate
CID 13216678
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 2,4-diphenylthiophene-3-carboxylate
CID 12733358
methyl 2-bromo-6-phenylbenzoate
CID 13352656
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethoxy-3-phenylbenzoate?
The IUPAC name of methyl 2,6-dimethoxy-3-phenylbenzoate (CID 142664398) is methyl 2,6-dimethoxy-3-phenylbenzoate.
What is the SMILES notation for methyl 2,6-dimethoxy-3-phenylbenzoate?
The canonical SMILES for methyl 2,6-dimethoxy-3-phenylbenzoate is COC(=O)c1c(OC)ccc(-c2ccccc2)c1OC.
What is the InChIKey of methyl 2,6-dimethoxy-3-phenylbenzoate?
The InChIKey is REZFDSCGKBXZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-13-10-9-12(11-7-5-4-6-8-11)15(19-2)14(13)16(17)20-3/h4-10H,1-3H3.
What are the key properties of methyl 2,6-dimethoxy-3-phenylbenzoate?
methyl 2,6-dimethoxy-3-phenylbenzoate has a molecular weight of 272.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethoxy-3-phenylbenzoate is sourced from PubChem (CID 142664398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).