benzoic acid;1-ethyl-2-phenylbenzene

C21H20O2 — CID 66846233

IUPACbenzoic acid;1-ethyl-2-phenylbenzene
SMILESCCc1ccccc1-c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C14H14.C7H6O2/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;8-7(9)6-4-2-1-3-5-6/h3-11H,2H2,1H3;1-5H,(H,8,9)
InChIKeyNFCDGTIURQVLEG-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.30
Rot. Bonds3

About benzoic acid;1-ethyl-2-phenylbenzene

benzoic acid;1-ethyl-2-phenylbenzene (PubChem CID 66846233) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzoic acid;1-ethyl-2-phenylbenzene.

Molecular Properties

Compound Namebenzoic acid;1-ethyl-2-phenylbenzene
PubChem CID66846233
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Namebenzoic acid;1-ethyl-2-phenylbenzene
SMILESCCc1ccccc1-c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C14H14.C7H6O2/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;8-7(9)6-4-2-1-3-5-6/h3-11H,2H2,1H3;1-5H,(H,8,9)
InChIKeyNFCDGTIURQVLEG-UHFFFAOYSA-N
XLogP5.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze benzoic acid;1-ethyl-2-phenylbenzene 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

acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol
CID 174482938
5-(2-ethylphenyl)pyridine-3-carboxylic acid
CID 56715011
4-(2-ethylphenyl)benzamide
CID 69080578
4-[2-(2-hydroxyethyl)phenyl]benzoic acid
CID 175206383
benzoic acid;bis(propan-1-ol)
CID 175024841
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
2-phenacyl-6-phenylbenzoic acid
CID 59608656

Frequently Asked Questions

What is the IUPAC name of benzoic acid;1-ethyl-2-phenylbenzene?
The IUPAC name of benzoic acid;1-ethyl-2-phenylbenzene (CID 66846233) is benzoic acid;1-ethyl-2-phenylbenzene.
What is the SMILES notation for benzoic acid;1-ethyl-2-phenylbenzene?
The canonical SMILES for benzoic acid;1-ethyl-2-phenylbenzene is CCc1ccccc1-c1ccccc1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;1-ethyl-2-phenylbenzene?
The InChIKey is NFCDGTIURQVLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C7H6O2/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;8-7(9)6-4-2-1-3-5-6/h3-11H,2H2,1H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;1-ethyl-2-phenylbenzene?
benzoic acid;1-ethyl-2-phenylbenzene has a molecular weight of 304.39 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;1-ethyl-2-phenylbenzene is sourced from PubChem (CID 66846233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).