(10-ethylanthracen-9-yl) 2-methylprop-2-enoate

C20H18O2 — CID 123636000

IUPAC(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c2ccccc2c(CC)c2ccccc12
InChIInChI=1S/C20H18O2/c1-4-14-15-9-5-7-11-17(15)19(22-20(21)13(2)3)18-12-8-6-10-16(14)18/h5-12H,2,4H2,1,3H3
InChIKeyMSGKPGCTSCHZDV-UHFFFAOYSA-N
MW290.36 g/mol
LogP5.04
Rot. Bonds3

About (10-ethylanthracen-9-yl) 2-methylprop-2-enoate

(10-ethylanthracen-9-yl) 2-methylprop-2-enoate (PubChem CID 123636000) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (10-ethylanthracen-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
PubChem CID123636000
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c2ccccc2c(CC)c2ccccc12
InChIInChI=1S/C20H18O2/c1-4-14-15-9-5-7-11-17(15)19(22-20(21)13(2)3)18-12-8-6-10-16(14)18/h5-12H,2,4H2,1,3H3
InChIKeyMSGKPGCTSCHZDV-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.36
LogP ≤ 55.04
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-(2-methylprop-2-enoyloxy)terephthalic acid
CID 159353007
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406656
(2,3-dimethylazulen-1-yl) 2-methylprop-2-enoate
CID 164546738
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
[4-[9-[2,5-diethoxy-3-ethyl-4-(2-methylprop-2-enoyloxy)phenyl]fluoren-9-yl]-3,6-diethoxy-2-ethylphenyl] 2-methylprop-2-enoate
CID 87975556
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
[2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate
CID 121267124
(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406763
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407001

Frequently Asked Questions

What is the IUPAC name of (10-ethylanthracen-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (10-ethylanthracen-9-yl) 2-methylprop-2-enoate (CID 123636000) is (10-ethylanthracen-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (10-ethylanthracen-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (10-ethylanthracen-9-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c2ccccc2c(CC)c2ccccc12.
What is the InChIKey of (10-ethylanthracen-9-yl) 2-methylprop-2-enoate?
The InChIKey is MSGKPGCTSCHZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-4-14-15-9-5-7-11-17(15)19(22-20(21)13(2)3)18-12-8-6-10-16(14)18/h5-12H,2,4H2,1,3H3.
What are the key properties of (10-ethylanthracen-9-yl) 2-methylprop-2-enoate?
(10-ethylanthracen-9-yl) 2-methylprop-2-enoate has a molecular weight of 290.36 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10-ethylanthracen-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 123636000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).