anthracene;2-methylprop-2-enoic acid;styrene

C26H24O2 — CID 159809199

IUPACanthracene;2-methylprop-2-enoic acid;styrene
SMILESC=C(C)C(=O)O.C=Cc1ccccc1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C8H8.C4H6O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-8-6-4-3-5-7-8;1-3(2)4(5)6/h1-10H;2-7H,1H2;1H2,2H3,(H,5,6)
InChIKeyNKUJUPYLDSRSBY-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.97
Rot. Bonds2

About anthracene;2-methylprop-2-enoic acid;styrene

anthracene;2-methylprop-2-enoic acid;styrene (PubChem CID 159809199) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is anthracene;2-methylprop-2-enoic acid;styrene.

Molecular Properties

Compound Nameanthracene;2-methylprop-2-enoic acid;styrene
PubChem CID159809199
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Nameanthracene;2-methylprop-2-enoic acid;styrene
SMILESC=C(C)C(=O)O.C=Cc1ccccc1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C8H8.C4H6O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-8-6-4-3-5-7-8;1-3(2)4(5)6/h1-10H;2-7H,1H2;1H2,2H3,(H,5,6)
InChIKeyNKUJUPYLDSRSBY-UHFFFAOYSA-N
XLogP6.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
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ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid
CID 158351628
2-hydroxyprop-2-enoic acid;styrene
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CID 67136540
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
2-chloroprop-2-enoic acid;styrene
CID 87853841
2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene
CID 67644333
2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene
CID 67581817
buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene
CID 67895775

Frequently Asked Questions

What is the IUPAC name of anthracene;2-methylprop-2-enoic acid;styrene?
The IUPAC name of anthracene;2-methylprop-2-enoic acid;styrene (CID 159809199) is anthracene;2-methylprop-2-enoic acid;styrene.
What is the SMILES notation for anthracene;2-methylprop-2-enoic acid;styrene?
The canonical SMILES for anthracene;2-methylprop-2-enoic acid;styrene is C=C(C)C(=O)O.C=Cc1ccccc1.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;2-methylprop-2-enoic acid;styrene?
The InChIKey is NKUJUPYLDSRSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C8H8.C4H6O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-8-6-4-3-5-7-8;1-3(2)4(5)6/h1-10H;2-7H,1H2;1H2,2H3,(H,5,6).
What are the key properties of anthracene;2-methylprop-2-enoic acid;styrene?
anthracene;2-methylprop-2-enoic acid;styrene has a molecular weight of 368.48 g/mol, XLogP of 6.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;2-methylprop-2-enoic acid;styrene is sourced from PubChem (CID 159809199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).