benzene-1,3-dicarboxylic acid;styrene

C16H14O4 — CID 159798879

IUPACbenzene-1,3-dicarboxylic acid;styrene
SMILESC=Cc1ccccc1.O=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4.C8H8/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-8-6-4-3-5-7-8/h1-4H,(H,9,10)(H,11,12);2-7H,1H2
InChIKeyNJNJBBPXTDRUQB-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.41
Rot. Bonds3

About benzene-1,3-dicarboxylic acid;styrene

benzene-1,3-dicarboxylic acid;styrene (PubChem CID 159798879) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is benzene-1,3-dicarboxylic acid;styrene.

Molecular Properties

Compound Namebenzene-1,3-dicarboxylic acid;styrene
PubChem CID159798879
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namebenzene-1,3-dicarboxylic acid;styrene
SMILESC=Cc1ccccc1.O=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4.C8H8/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-8-6-4-3-5-7-8/h1-4H,(H,9,10)(H,11,12);2-7H,1H2
InChIKeyNJNJBBPXTDRUQB-UHFFFAOYSA-N
XLogP3.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzene-1,3-dicarboxylic acid;styrene 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

4-ethenylbenzoic acid;styrene
CID 22341601
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
1-phenylethanone;styrene
CID 19811140
styrene;1,2,2-triphenylethenylbenzene
CID 161183519
prop-2-enoic acid;styrene
CID 160851252
benzene-1,3-dicarboxylic acid;bis(prop-2-enylphosphane)
CID 173419635
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarboxylic acid;styrene?
The IUPAC name of benzene-1,3-dicarboxylic acid;styrene (CID 159798879) is benzene-1,3-dicarboxylic acid;styrene.
What is the SMILES notation for benzene-1,3-dicarboxylic acid;styrene?
The canonical SMILES for benzene-1,3-dicarboxylic acid;styrene is C=Cc1ccccc1.O=C(O)c1cccc(C(=O)O)c1.
What is the InChIKey of benzene-1,3-dicarboxylic acid;styrene?
The InChIKey is NJNJBBPXTDRUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C8H8/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-8-6-4-3-5-7-8/h1-4H,(H,9,10)(H,11,12);2-7H,1H2.
What are the key properties of benzene-1,3-dicarboxylic acid;styrene?
benzene-1,3-dicarboxylic acid;styrene has a molecular weight of 270.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarboxylic acid;styrene is sourced from PubChem (CID 159798879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).