4-ethylbenzoic acid;formaldehyde

C11H14O4 — CID 155718391

IUPAC4-ethylbenzoic acid;formaldehyde
SMILESC=O.C=O.CCc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H10O2.2CH2O/c1-2-7-3-5-8(6-4-7)9(10)11;2*1-2/h3-6H,2H2,1H3,(H,10,11);2*1H2
InChIKeyLOLFPCSXKLABLX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.58
Rot. Bonds2

About 4-ethylbenzoic acid;formaldehyde

4-ethylbenzoic acid;formaldehyde (PubChem CID 155718391) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-ethylbenzoic acid;formaldehyde.

Molecular Properties

Compound Name4-ethylbenzoic acid;formaldehyde
PubChem CID155718391
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-ethylbenzoic acid;formaldehyde
SMILESC=O.C=O.CCc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H10O2.2CH2O/c1-2-7-3-5-8(6-4-7)9(10)11;2*1-2/h3-6H,2H2,1H3,(H,10,11);2*1H2
InChIKeyLOLFPCSXKLABLX-UHFFFAOYSA-N
XLogP1.58
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
CID 175195414
4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
ethane;4-ethylbenzoic acid;pyridine
CID 90933398
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
ethylbenzene;4-hydroxybenzoic acid
CID 67658801
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
4-ethylbenzoyl iodide
CID 89147367
ethane;4-propylbenzoic acid
CID 91047964

Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzoic acid;formaldehyde?
The IUPAC name of 4-ethylbenzoic acid;formaldehyde (CID 155718391) is 4-ethylbenzoic acid;formaldehyde.
What is the SMILES notation for 4-ethylbenzoic acid;formaldehyde?
The canonical SMILES for 4-ethylbenzoic acid;formaldehyde is C=O.C=O.CCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-ethylbenzoic acid;formaldehyde?
The InChIKey is LOLFPCSXKLABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.2CH2O/c1-2-7-3-5-8(6-4-7)9(10)11;2*1-2/h3-6H,2H2,1H3,(H,10,11);2*1H2.
What are the key properties of 4-ethylbenzoic acid;formaldehyde?
4-ethylbenzoic acid;formaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzoic acid;formaldehyde is sourced from PubChem (CID 155718391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).