(10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate

C21H20O5 — CID 163407182

IUPAC(10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c2c(c(OC(=O)OC)c3cc(C)ccc13)CC=CC2
InChIInChI=1S/C21H20O5/c1-12(2)20(22)25-18-14-7-5-6-8-15(14)19(26-21(23)24-4)17-11-13(3)9-10-16(17)18/h5-6,9-11H,1,7-8H2,2-4H3
InChIKeyDQKHYLJWVCOOBR-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.43
Rot. Bonds3

About (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate

(10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate (PubChem CID 163407182) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
PubChem CID163407182
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name(10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c2c(c(OC(=O)OC)c3cc(C)ccc13)CC=CC2
InChIInChI=1S/C21H20O5/c1-12(2)20(22)25-18-14-7-5-6-8-15(14)19(26-21(23)24-4)17-11-13(3)9-10-16(17)18/h5-6,9-11H,1,7-8H2,2-4H3
InChIKeyDQKHYLJWVCOOBR-UHFFFAOYSA-N
XLogP4.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406991
(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406656
(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163407044
[6-chloro-4-methoxycarbonyloxy-1-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 163406887
(2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate
CID 135239669
(10-methoxycarbonyloxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406422
(4-methoxy-6-methyl-2-phenylsulfanylnaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406944
[7-methyl-4-(2-methylprop-2-enoyloxy)-3-phenylsulfanylnaphthalen-1-yl] 2-methylprop-2-enoate
CID 163407141
(2,6-dichloro-10-methoxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406999
(10-acetyloxy-2,6-dichloro-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406985
[10-methoxycarbonyloxy-2-(4-methylpent-3-enyl)-1,4-dihydroanthracen-9-yl] 2-methylprop-2-enoate
CID 163406787
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945

Frequently Asked Questions

What is the IUPAC name of (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate (CID 163407182) is (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c2c(c(OC(=O)OC)c3cc(C)ccc13)CC=CC2.
What is the InChIKey of (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate?
The InChIKey is DQKHYLJWVCOOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-12(2)20(22)25-18-14-7-5-6-8-15(14)19(26-21(23)24-4)17-11-13(3)9-10-16(17)18/h5-6,9-11H,1,7-8H2,2-4H3.
What are the key properties of (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate?
(10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate has a molecular weight of 352.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 163407182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).