phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate

C19H18O4 — CID 20561455

IUPACphenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1.C=CC(=O)Oc1ccccc1
InChIInChI=1S/C10H10O2.C9H8O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2-7H,1H2
InChIKeyLZSQPFSFNDJZDT-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.95
Rot. Bonds4

About phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate

phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate (PubChem CID 20561455) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate.

Molecular Properties

Compound Namephenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
PubChem CID20561455
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namephenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1.C=CC(=O)Oc1ccccc1
InChIInChI=1S/C10H10O2.C9H8O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2-7H,1H2
InChIKeyLZSQPFSFNDJZDT-UHFFFAOYSA-N
XLogP3.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
phenyl prop-2-enoate;triphenylene
CID 159225619
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] prop-2-enoate;[3-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 157164623
oxirane;phenyl prop-2-enoate
CID 87443709
2-ethoxyethyl 2-methylprop-2-enoate;phenyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 175311006

Frequently Asked Questions

What is the IUPAC name of phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate?
The IUPAC name of phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate (CID 20561455) is phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate.
What is the SMILES notation for phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate?
The canonical SMILES for phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate is C=C(C)C(=O)Oc1ccccc1.C=CC(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate?
The InChIKey is LZSQPFSFNDJZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C9H8O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2-7H,1H2.
What are the key properties of phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate?
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate has a molecular weight of 310.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate is sourced from PubChem (CID 20561455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).