1-methoxy-5-prop-2-enoxyanthracene-9,10-dione

C18H14O4 — CID 100970619

IUPAC1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
SMILESC=CCOc1cccc2c1C(=O)c1cccc(OC)c1C2=O
InChIInChI=1S/C18H14O4/c1-3-10-22-14-9-5-7-12-16(14)18(20)11-6-4-8-13(21-2)15(11)17(12)19/h3-9H,1,10H2,2H3
InChIKeyBZLNYPSOQQSVAQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.04
Rot. Bonds4

About 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione

1-methoxy-5-prop-2-enoxyanthracene-9,10-dione (PubChem CID 100970619) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
PubChem CID100970619
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
SMILESC=CCOc1cccc2c1C(=O)c1cccc(OC)c1C2=O
InChIInChI=1S/C18H14O4/c1-3-10-22-14-9-5-7-12-16(14)18(20)11-6-4-8-13(21-2)15(11)17(12)19/h3-9H,1,10H2,2H3
InChIKeyBZLNYPSOQQSVAQ-UHFFFAOYSA-N
XLogP3.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethoxyfluoren-9-one
CID 19594782
2-(1,2-dihydroxypropyl)-1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970606
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione
CID 11023639
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
3-[(E)-ethoxyiminomethyl]-1,8-bis(prop-2-enoxy)anthracene-9,10-dione
CID 122195411
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
1-[(E)-hex-2-enoxy]anthracene-9,10-dione
CID 15716447
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione?
The IUPAC name of 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione (CID 100970619) is 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione.
What is the SMILES notation for 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione?
The canonical SMILES for 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione is C=CCOc1cccc2c1C(=O)c1cccc(OC)c1C2=O.
What is the InChIKey of 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione?
The InChIKey is BZLNYPSOQQSVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-3-10-22-14-9-5-7-12-16(14)18(20)11-6-4-8-13(21-2)15(11)17(12)19/h3-9H,1,10H2,2H3.
What are the key properties of 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione?
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione has a molecular weight of 294.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-prop-2-enoxyanthracene-9,10-dione is sourced from PubChem (CID 100970619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).