oxalic acid;1-phenylpropylbenzene

C17H18O4 — CID 67824543

IUPACoxalic acid;1-phenylpropylbenzene
SMILESCCC(c1ccccc1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H16.C2H2O4/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;3-1(4)2(5)6/h3-12,15H,2H2,1H3;(H,3,4)(H,5,6)
InChIKeyLXVJIYWPHJHBJH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.38
Rot. Bonds3

About oxalic acid;1-phenylpropylbenzene

oxalic acid;1-phenylpropylbenzene (PubChem CID 67824543) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is oxalic acid;1-phenylpropylbenzene.

Molecular Properties

Compound Nameoxalic acid;1-phenylpropylbenzene
PubChem CID67824543
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Nameoxalic acid;1-phenylpropylbenzene
SMILESCCC(c1ccccc1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H16.C2H2O4/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;3-1(4)2(5)6/h3-12,15H,2H2,1H3;(H,3,4)(H,5,6)
InChIKeyLXVJIYWPHJHBJH-UHFFFAOYSA-N
XLogP3.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxalic acid;1-phenylpropylbenzene 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

2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene
CID 142088142
4-[(1R)-1-phenylpropyl]aniline
CID 164669947
phenylmethanamine;1-phenylpropylbenzene
CID 19985231
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
(2R)-2-phenylbutanamide
CID 139147476
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
2-imino-3-phenylpentanoic acid
CID 174622056
3-ethyl-1-methoxy-1-phenylpentan-2-one
CID 116751408
1-amino-4-ethyl-2-phenylhexan-3-one
CID 116567120
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethane;3-phenylpentanoic acid
CID 142147200

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-phenylpropylbenzene?
The IUPAC name of oxalic acid;1-phenylpropylbenzene (CID 67824543) is oxalic acid;1-phenylpropylbenzene.
What is the SMILES notation for oxalic acid;1-phenylpropylbenzene?
The canonical SMILES for oxalic acid;1-phenylpropylbenzene is CCC(c1ccccc1)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-phenylpropylbenzene?
The InChIKey is LXVJIYWPHJHBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C2H2O4/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;3-1(4)2(5)6/h3-12,15H,2H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-phenylpropylbenzene?
oxalic acid;1-phenylpropylbenzene has a molecular weight of 286.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-phenylpropylbenzene is sourced from PubChem (CID 67824543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).