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

C22H16O4 — CID 10360124

IUPAC1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one
SMILESCOc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1
InChIInChI=1S/C22H16O4/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-6-18(23)20(15)22(25)21-16(17)5-3-7-19(21)24/h2-12,23-24H,1H3
InChIKeyYOBBUGFYHIXIAD-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.24
Rot. Bonds2

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

1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one (PubChem CID 10360124) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one
PubChem CID10360124
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one
SMILESCOc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1
InChIInChI=1S/C22H16O4/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-6-18(23)20(15)22(25)21-16(17)5-3-7-19(21)24/h2-12,23-24H,1H3
InChIKeyYOBBUGFYHIXIAD-UHFFFAOYSA-N
XLogP4.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one (CID 10360124) is 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one is COc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1.
What is the InChIKey of 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one?
The InChIKey is YOBBUGFYHIXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-6-18(23)20(15)22(25)21-16(17)5-3-7-19(21)24/h2-12,23-24H,1H3.
What are the key properties of 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one?
1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one has a molecular weight of 344.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one is sourced from PubChem (CID 10360124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).