anthracen-2-ylmethyl prop-2-enoate

C18H14O2 — CID 163424587

IUPACanthracen-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H14O2/c1-2-18(19)20-12-13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13/h2-11H,1,12H2
InChIKeyALJCFCUOCJYSIW-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.22
Rot. Bonds3

About anthracen-2-ylmethyl prop-2-enoate

anthracen-2-ylmethyl prop-2-enoate (PubChem CID 163424587) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is anthracen-2-ylmethyl prop-2-enoate.

Molecular Properties

Compound Nameanthracen-2-ylmethyl prop-2-enoate
PubChem CID163424587
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Nameanthracen-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H14O2/c1-2-18(19)20-12-13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13/h2-11H,1,12H2
InChIKeyALJCFCUOCJYSIW-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.22
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

CID 159481428
CID 159481428
2-benzofuran-5-ylmethyl prop-2-enoate
CID 174509033
dibenzofuran-3-ylmethyl prop-2-enoate
CID 90268477
4-O-(4-methoxyphenyl) 1-O-(naphthalen-2-ylmethyl) (E)-but-2-enedioate
CID 91717170
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
[2,4,6-tris(naphthalen-2-ylsulfanyl)phenyl]methyl prop-2-enoate
CID 118070045
4-O-(2,6-dichlorophenyl) 1-O-(naphthalen-2-ylmethyl) (E)-but-2-enedioate
CID 91754115

Frequently Asked Questions

What is the IUPAC name of anthracen-2-ylmethyl prop-2-enoate?
The IUPAC name of anthracen-2-ylmethyl prop-2-enoate (CID 163424587) is anthracen-2-ylmethyl prop-2-enoate.
What is the SMILES notation for anthracen-2-ylmethyl prop-2-enoate?
The canonical SMILES for anthracen-2-ylmethyl prop-2-enoate is C=CC(=O)OCc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracen-2-ylmethyl prop-2-enoate?
The InChIKey is ALJCFCUOCJYSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-2-18(19)20-12-13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13/h2-11H,1,12H2.
What are the key properties of anthracen-2-ylmethyl prop-2-enoate?
anthracen-2-ylmethyl prop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-2-ylmethyl prop-2-enoate is sourced from PubChem (CID 163424587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).