CID 59716384

C9H8O3 — CID 59716384

IUPAC—
SMILES[CH]Oc1cccc(C(=O)OC)c1
InChIInChI=1S/C9H8O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h1,3-6H,2H3
InChIKeyZKPRCAVWQQVYCS-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.52
Rot. Bonds2

About CID 59716384

CID 59716384 (PubChem CID 59716384) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol.

Molecular Properties

Compound NameCID 59716384
PubChem CID59716384
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name—
SMILES[CH]Oc1cccc(C(=O)OC)c1
InChIInChI=1S/C9H8O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h1,3-6H,2H3
InChIKeyZKPRCAVWQQVYCS-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 59716384 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-acetyloxybenzoate
CID 577969
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-carbamoyloxybenzoate
CID 795113
methyl 3-ethoxybenzoate
CID 3267781
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 3-dimethylphosphoryloxybenzoate
CID 154112354
methyl 3-(2-bromopropan-2-yloxy)benzoate
CID 70204795
methyl 3-diphenoxyboranyloxybenzoate
CID 142687972
methyl 3-anilinooxybenzoate
CID 54183467
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-(2-iodoethoxy)benzoate
CID 10979673

Frequently Asked Questions

What is the IUPAC name of CID 59716384?
The IUPAC name of CID 59716384 (CID 59716384) is not available.
What is the SMILES notation for CID 59716384?
The canonical SMILES for CID 59716384 is [CH]Oc1cccc(C(=O)OC)c1.
What is the InChIKey of CID 59716384?
The InChIKey is ZKPRCAVWQQVYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h1,3-6H,2H3.
What are the key properties of CID 59716384?
CID 59716384 has a molecular weight of 164.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59716384 is sourced from PubChem (CID 59716384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).