prop-2-enoic acid;styrene

C27H28O2 — CID 160851252

IUPACprop-2-enoic acid;styrene
SMILESC=CC(=O)O.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/3C8H8.C3H4O2/c3*1-2-8-6-4-3-5-7-8;1-2-3(4)5/h3*2-7H,1H2;2H,1H2,(H,4,5)
InChIKeySJHFWFSIFQOUMQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP7.25
Rot. Bonds4

About prop-2-enoic acid;styrene

prop-2-enoic acid;styrene (PubChem CID 160851252) has the molecular formula C27H28O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is prop-2-enoic acid;styrene.

Molecular Properties

Compound Nameprop-2-enoic acid;styrene
PubChem CID160851252
Molecular FormulaC27H28O2
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Nameprop-2-enoic acid;styrene
SMILESC=CC(=O)O.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/3C8H8.C3H4O2/c3*1-2-8-6-4-3-5-7-8;1-2-3(4)5/h3*2-7H,1H2;2H,1H2,(H,4,5)
InChIKeySJHFWFSIFQOUMQ-UHFFFAOYSA-N
XLogP7.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;styrene?
The IUPAC name of prop-2-enoic acid;styrene (CID 160851252) is prop-2-enoic acid;styrene.
What is the SMILES notation for prop-2-enoic acid;styrene?
The canonical SMILES for prop-2-enoic acid;styrene is C=CC(=O)O.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of prop-2-enoic acid;styrene?
The InChIKey is SJHFWFSIFQOUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8.C3H4O2/c3*1-2-8-6-4-3-5-7-8;1-2-3(4)5/h3*2-7H,1H2;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;styrene?
prop-2-enoic acid;styrene has a molecular weight of 384.52 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;styrene is sourced from PubChem (CID 160851252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).