4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one

C18H16O4 — CID 12065684

IUPAC4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one
SMILESC=CCC1(O)c2ccccc2C(=O)c2ccc(OC)c(O)c21
InChIInChI=1S/C18H16O4/c1-3-10-18(21)13-7-5-4-6-11(13)16(19)12-8-9-14(22-2)17(20)15(12)18/h3-9,20-21H,1,10H2,2H3
InChIKeyQOIPBSRREDTEOQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.76
Rot. Bonds3

About 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one

4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one (PubChem CID 12065684) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one.

Molecular Properties

Compound Name4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one
PubChem CID12065684
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one
SMILESC=CCC1(O)c2ccccc2C(=O)c2ccc(OC)c(O)c21
InChIInChI=1S/C18H16O4/c1-3-10-18(21)13-7-5-4-6-11(13)16(19)12-8-9-14(22-2)17(20)15(12)18/h3-9,20-21H,1,10H2,2H3
InChIKeyQOIPBSRREDTEOQ-UHFFFAOYSA-N
XLogP2.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
10-benzyl-10-hydroxyanthracen-9-one
CID 12660749
3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
CID 14902933
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 24862080
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,3-dimethylinden-1-one
CID 24890309
10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
CID 139722204
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
2-[bis(methylsulfanyl)methylidene]-1-prop-2-enylacenaphthylen-1-ol
CID 11771423
10-hydroperoxy-10-methoxyanthracen-9-one
CID 12601747
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
2-(2-methoxyphenoxy)-6-prop-2-enylphenol
CID 22672183

Frequently Asked Questions

What is the IUPAC name of 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one?
The IUPAC name of 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one (CID 12065684) is 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one.
What is the SMILES notation for 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one?
The canonical SMILES for 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one is C=CCC1(O)c2ccccc2C(=O)c2ccc(OC)c(O)c21.
What is the InChIKey of 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one?
The InChIKey is QOIPBSRREDTEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-3-10-18(21)13-7-5-4-6-11(13)16(19)12-8-9-14(22-2)17(20)15(12)18/h3-9,20-21H,1,10H2,2H3.
What are the key properties of 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one?
4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one has a molecular weight of 296.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one is sourced from PubChem (CID 12065684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).