(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate

C20H18O4 — CID 163406656

IUPAC(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c2c(c(OC(C)=O)c3ccccc13)CC=CC2
InChIInChI=1S/C20H18O4/c1-12(2)20(22)24-19-16-10-6-4-8-14(16)18(23-13(3)21)15-9-5-7-11-17(15)19/h4-8,10H,1,9,11H2,2-3H3
InChIKeyYBWHOJPEIVIZMC-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.90
Rot. Bonds3

About (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate

(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate (PubChem CID 163406656) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
PubChem CID163406656
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c2c(c(OC(C)=O)c3ccccc13)CC=CC2
InChIInChI=1S/C20H18O4/c1-12(2)20(22)24-19-16-10-6-4-8-14(16)18(23-13(3)21)15-9-5-7-11-17(15)19/h4-8,10H,1,9,11H2,2-3H3
InChIKeyYBWHOJPEIVIZMC-UHFFFAOYSA-N
XLogP3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-10-hydroxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163407031
(10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163407182
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407001
(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
CID 123636000
(10-acetyloxy-2,6-dichloro-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406985
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
(2,3-dimethylazulen-1-yl) 2-methylprop-2-enoate
CID 164546738
(10-acetyloxy-6-chloro-2-ethyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406716
(10-methoxycarbonyloxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406422
(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

Frequently Asked Questions

What is the IUPAC name of (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate (CID 163406656) is (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c2c(c(OC(C)=O)c3ccccc13)CC=CC2.
What is the InChIKey of (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate?
The InChIKey is YBWHOJPEIVIZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-12(2)20(22)24-19-16-10-6-4-8-14(16)18(23-13(3)21)15-9-5-7-11-17(15)19/h4-8,10H,1,9,11H2,2-3H3.
What are the key properties of (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate?
(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate has a molecular weight of 322.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 163406656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).