1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one

C24H20O4 — CID 67584379

IUPAC1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one
SMILESCCC(=C1c2cccc(O)c2C(=O)c2c(O)cccc21)c1ccc(OC)cc1
InChIInChI=1S/C24H20O4/c1-3-16(14-10-12-15(28-2)13-11-14)21-17-6-4-8-19(25)22(17)24(27)23-18(21)7-5-9-20(23)26/h4-13,25-26H,3H2,1-2H3
InChIKeyGWBYRARBRXPEAP-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.02
Rot. Bonds3

About 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one

1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one (PubChem CID 67584379) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one
PubChem CID67584379
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one
SMILESCCC(=C1c2cccc(O)c2C(=O)c2c(O)cccc21)c1ccc(OC)cc1
InChIInChI=1S/C24H20O4/c1-3-16(14-10-12-15(28-2)13-11-14)21-17-6-4-8-19(25)22(17)24(27)23-18(21)7-5-9-20(23)26/h4-13,25-26H,3H2,1-2H3
InChIKeyGWBYRARBRXPEAP-UHFFFAOYSA-N
XLogP5.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
8-hydroxy-2-(4-methoxybenzoyl)benzo[f][1]benzothiole-4,9-dione
CID 118707760
2-chloro-5-hydroxy-3-(4-methoxyphenyl)naphthalene-1,4-dione
CID 10639031
4,5-dihydroxy-N-[(4-methoxyphenyl)methyl]-9,10-dioxoanthracene-2-carboxamide
CID 168785712
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
1-hydroxy-4,5,8-tris(4-methoxyphenyl)anthracene-9,10-dione
CID 122206276
8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
3-ethyl-8-hydroxy-6-methoxybenzo[a]anthracene-7,12-dione
CID 102245119
(4,5-dihydroxy-7-methoxy-9,10-dioxoanthracen-2-yl)methyl-dimethyl-octadecylazanium
CID 71460048

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one (CID 67584379) is 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one is CCC(=C1c2cccc(O)c2C(=O)c2c(O)cccc21)c1ccc(OC)cc1.
What is the InChIKey of 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one?
The InChIKey is GWBYRARBRXPEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-3-16(14-10-12-15(28-2)13-11-14)21-17-6-4-8-19(25)22(17)24(27)23-18(21)7-5-9-20(23)26/h4-13,25-26H,3H2,1-2H3.
What are the key properties of 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one?
1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one has a molecular weight of 372.42 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one is sourced from PubChem (CID 67584379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).