(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate

C25H20O2 — CID 71414129

IUPAC(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H20O2/c1-17(2)25(26)27-16-23-19-12-6-8-14-21(19)24(18-10-4-3-5-11-18)22-15-9-7-13-20(22)23/h3-15H,1,16H2,2H3
InChIKeyAJTLKEUEVGQRRK-UHFFFAOYSA-N
MW352.43 g/mol
LogP6.28
Rot. Bonds4

About (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate

(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate (PubChem CID 71414129) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate
PubChem CID71414129
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H20O2/c1-17(2)25(26)27-16-23-19-12-6-8-14-21(19)24(18-10-4-3-5-11-18)22-15-9-7-13-20(22)23/h3-15H,1,16H2,2H3
InChIKeyAJTLKEUEVGQRRK-UHFFFAOYSA-N
XLogP6.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid
CID 129174154
tetracen-5-ylmethyl 2-methylprop-2-enoate
CID 59584223
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 2-methylprop-2-enoate;butane
CID 174907722
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861

Frequently Asked Questions

What is the IUPAC name of (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate (CID 71414129) is (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate?
The InChIKey is AJTLKEUEVGQRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2/c1-17(2)25(26)27-16-23-19-12-6-8-14-21(19)24(18-10-4-3-5-11-18)22-15-9-7-13-20(22)23/h3-15H,1,16H2,2H3.
What are the key properties of (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate?
(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate has a molecular weight of 352.43 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 71414129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).