phenyl 2-methylprop-2-enoate;styrene

C18H18O2 — CID 22227486

IUPACphenyl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)Oc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C10H10O2.C8H8/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2-7H,1H2
InChIKeyCSZZVSAEGFJSQO-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.50
Rot. Bonds3

About phenyl 2-methylprop-2-enoate;styrene

phenyl 2-methylprop-2-enoate;styrene (PubChem CID 22227486) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is phenyl 2-methylprop-2-enoate;styrene.

Molecular Properties

Compound Namephenyl 2-methylprop-2-enoate;styrene
PubChem CID22227486
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namephenyl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)Oc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C10H10O2.C8H8/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2-7H,1H2
InChIKeyCSZZVSAEGFJSQO-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
bis(2-methylprop-2-enoyl) (Z)-but-2-enedioate;styrene
CID 87485822
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
CID 155004792
(Z)-but-2-enedioic acid;methyl 2-methylprop-2-enoate;styrene
CID 70445514
bis(buta-1,3-diene);2-methylprop-2-enoic acid;styrene
CID 173015900
(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene
CID 23364974
anthracene;2-methylprop-2-enoic acid;styrene
CID 159809199

Frequently Asked Questions

What is the IUPAC name of phenyl 2-methylprop-2-enoate;styrene?
The IUPAC name of phenyl 2-methylprop-2-enoate;styrene (CID 22227486) is phenyl 2-methylprop-2-enoate;styrene.
What is the SMILES notation for phenyl 2-methylprop-2-enoate;styrene?
The canonical SMILES for phenyl 2-methylprop-2-enoate;styrene is C=C(C)C(=O)Oc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of phenyl 2-methylprop-2-enoate;styrene?
The InChIKey is CSZZVSAEGFJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C8H8/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2-7H,1H2.
What are the key properties of phenyl 2-methylprop-2-enoate;styrene?
phenyl 2-methylprop-2-enoate;styrene has a molecular weight of 266.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methylprop-2-enoate;styrene is sourced from PubChem (CID 22227486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).