(10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate

C19H20O3 — CID 163406859

IUPAC(10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c2c(c(OC)c3ccccc13)CCC(C)C2
InChIInChI=1S/C19H20O3/c1-4-17(20)22-19-14-8-6-5-7-13(14)18(21-3)15-10-9-12(2)11-16(15)19/h4-8,12H,1,9-11H2,2-3H3
InChIKeyVZAIRJNJKXMTGU-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.06
Rot. Bonds3

About (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate

(10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate (PubChem CID 163406859) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate.

Molecular Properties

Compound Name(10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate
PubChem CID163406859
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c2c(c(OC)c3ccccc13)CCC(C)C2
InChIInChI=1S/C19H20O3/c1-4-17(20)22-19-14-8-6-5-7-13(14)18(21-3)15-10-9-12(2)11-16(15)19/h4-8,12H,1,9-11H2,2-3H3
InChIKeyVZAIRJNJKXMTGU-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethyl-10-phenoxy-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate
CID 163406270
(10-methoxycarbonyloxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406422
[10-(2-ethylhexanoyloxy)-3-methyl-1,2,3,4-tetrahydroanthracen-9-yl] 2-ethylhexanoate
CID 153323301
(10-methoxycarbonyloxy-2-methyl-1,4-dihydroanthracen-9-yl) prop-2-enoate
CID 163406401
9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
CID 153323217
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
phenyl prop-2-enoate;triphenylene
CID 159225619
(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163407044
[10-hydroxy-6-methyl-2-(4-methylpent-3-enyl)-1,2,3,4-tetrahydroanthracen-9-yl] prop-2-enoate
CID 163407018
(10-hydroxy-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl) prop-2-enoate
CID 163406553
but-1-ene;5-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene
CID 145049447

Frequently Asked Questions

What is the IUPAC name of (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate?
The IUPAC name of (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate (CID 163406859) is (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate.
What is the SMILES notation for (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate?
The canonical SMILES for (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate is C=CC(=O)Oc1c2c(c(OC)c3ccccc13)CCC(C)C2.
What is the InChIKey of (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate?
The InChIKey is VZAIRJNJKXMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-4-17(20)22-19-14-8-6-5-7-13(14)18(21-3)15-10-9-12(2)11-16(15)19/h4-8,12H,1,9-11H2,2-3H3.
What are the key properties of (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate?
(10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methoxy-2-methyl-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate is sourced from PubChem (CID 163406859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).