ethyl 2-hydroxybenzoate;formaldehyde

C10H12O4 — CID 158790120

IUPACethyl 2-hydroxybenzoate;formaldehyde
SMILESC=O.CCOC(=O)c1ccccc1O
InChIInChI=1S/C9H10O3.CH2O/c1-2-12-9(11)7-5-3-4-6-8(7)10;1-2/h3-6,10H,2H2,1H3;1H2
InChIKeyISEAOOYNTKFLSA-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.38
Rot. Bonds2

About ethyl 2-hydroxybenzoate;formaldehyde

ethyl 2-hydroxybenzoate;formaldehyde (PubChem CID 158790120) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is ethyl 2-hydroxybenzoate;formaldehyde.

Molecular Properties

Compound Nameethyl 2-hydroxybenzoate;formaldehyde
PubChem CID158790120
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Nameethyl 2-hydroxybenzoate;formaldehyde
SMILESC=O.CCOC(=O)c1ccccc1O
InChIInChI=1S/C9H10O3.CH2O/c1-2-12-9(11)7-5-3-4-6-8(7)10;1-2/h3-6,10H,2H2,1H3;1H2
InChIKeyISEAOOYNTKFLSA-UHFFFAOYSA-N
XLogP1.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxybenzoate;formaldehyde 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

ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl 2-(3-methylbuta-1,3-dien-2-yl)benzoate
CID 10512902
ethyl 2-(2-methylprop-2-enoyl)benzoate
CID 146010272
[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
CID 11186177

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxybenzoate;formaldehyde?
The IUPAC name of ethyl 2-hydroxybenzoate;formaldehyde (CID 158790120) is ethyl 2-hydroxybenzoate;formaldehyde.
What is the SMILES notation for ethyl 2-hydroxybenzoate;formaldehyde?
The canonical SMILES for ethyl 2-hydroxybenzoate;formaldehyde is C=O.CCOC(=O)c1ccccc1O.
What is the InChIKey of ethyl 2-hydroxybenzoate;formaldehyde?
The InChIKey is ISEAOOYNTKFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.CH2O/c1-2-12-9(11)7-5-3-4-6-8(7)10;1-2/h3-6,10H,2H2,1H3;1H2.
What are the key properties of ethyl 2-hydroxybenzoate;formaldehyde?
ethyl 2-hydroxybenzoate;formaldehyde has a molecular weight of 196.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxybenzoate;formaldehyde is sourced from PubChem (CID 158790120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).