[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate

C17H16O5 — CID 51055617

IUPAC[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccccc2OCC(C)=O)c1
InChIInChI=1S/C17H16O5/c1-12(18)11-21-15-8-3-4-9-16(15)22-17(19)13-6-5-7-14(10-13)20-2/h3-10H,11H2,1-2H3
InChIKeyANVLXTCTPPBVNW-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.88
Rot. Bonds6

About [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate

[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate (PubChem CID 51055617) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
PubChem CID51055617
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccccc2OCC(C)=O)c1
InChIInChI=1S/C17H16O5/c1-12(18)11-21-15-8-3-4-9-16(15)22-17(19)13-6-5-7-14(10-13)20-2/h3-10H,11H2,1-2H3
InChIKeyANVLXTCTPPBVNW-UHFFFAOYSA-N
XLogP2.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
[2-(2-oxopropoxy)phenyl] benzoate
CID 2142046
(4-acetyl-2-methoxyphenyl) 3-methoxybenzoate
CID 8868766
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809
(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126184010
[2-methoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 1246963
[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
CID 837711
(2-methylphenyl) 3-butoxybenzoate
CID 23012315
(2-acetyl-4-chlorophenyl) 3-methoxybenzoate
CID 13190809
ethane;methane;(3-methoxyphenyl) benzoate;propan-2-one
CID 159464781

Frequently Asked Questions

What is the IUPAC name of [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate?
The IUPAC name of [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate (CID 51055617) is [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate.
What is the SMILES notation for [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate?
The canonical SMILES for [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate is COc1cccc(C(=O)Oc2ccccc2OCC(C)=O)c1.
What is the InChIKey of [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate?
The InChIKey is ANVLXTCTPPBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-12(18)11-21-15-8-3-4-9-16(15)22-17(19)13-6-5-7-14(10-13)20-2/h3-10H,11H2,1-2H3.
What are the key properties of [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate?
[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate has a molecular weight of 300.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-oxopropoxy)phenyl] 3-methoxybenzoate is sourced from PubChem (CID 51055617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).