2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene

C23H24O4 — CID 158748751

IUPAC2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene
SMILESC=C(CC=Cc1ccccc1)C(=O)O.C=CC(=O)O.C=Cc1ccccc1
InChIInChI=1S/C12H12O2.C8H8.C3H4O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11;1-2-8-6-4-3-5-7-8;1-2-3(4)5/h2-5,7-9H,1,6H2,(H,13,14);2-7H,1H2;2H,1H2,(H,4,5)
InChIKeyINEVZSNHEAUIFJ-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.32
Rot. Bonds6

About 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene

2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene (PubChem CID 158748751) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene.

Molecular Properties

Compound Name2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene
PubChem CID158748751
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene
SMILESC=C(CC=Cc1ccccc1)C(=O)O.C=CC(=O)O.C=Cc1ccccc1
InChIInChI=1S/C12H12O2.C8H8.C3H4O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11;1-2-8-6-4-3-5-7-8;1-2-3(4)5/h2-5,7-9H,1,6H2,(H,13,14);2-7H,1H2;2H,1H2,(H,4,5)
InChIKeyINEVZSNHEAUIFJ-UHFFFAOYSA-N
XLogP5.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoyl chloride
CID 88777701
2-methylidenehexanoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 69286531
ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid
CID 67416280
2-methylbut-2-enoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 70152927
prop-2-enoic acid;styrene
CID 160851252
(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
sodium 2-methylidene-5-phenylpent-4-enoate
CID 66780635
2-methylidenebutanedioic acid;styrene
CID 22647756
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
2-hydroxyprop-2-enoic acid;styrene
CID 67611169
2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 70576407
2-methylidenehexanoic acid;prop-2-enenitrile;prop-2-enoic acid;styrene
CID 68639741

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene?
The IUPAC name of 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene (CID 158748751) is 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene.
What is the SMILES notation for 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene?
The canonical SMILES for 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene is C=C(CC=Cc1ccccc1)C(=O)O.C=CC(=O)O.C=Cc1ccccc1.
What is the InChIKey of 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene?
The InChIKey is INEVZSNHEAUIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2.C8H8.C3H4O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11;1-2-8-6-4-3-5-7-8;1-2-3(4)5/h2-5,7-9H,1,6H2,(H,13,14);2-7H,1H2;2H,1H2,(H,4,5).
What are the key properties of 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene?
2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene has a molecular weight of 364.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene is sourced from PubChem (CID 158748751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).