2-dodecoxy-6-hydroxyanthracene-9,10-dione

C26H32O4 — CID 71351025

IUPAC2-dodecoxy-6-hydroxyanthracene-9,10-dione
SMILESCCCCCCCCCCCCOc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O
InChIInChI=1S/C26H32O4/c1-2-3-4-5-6-7-8-9-10-11-16-30-20-13-15-22-24(18-20)26(29)21-14-12-19(27)17-23(21)25(22)28/h12-15,17-18,27H,2-11,16H2,1H3
InChIKeyADBOXDQSYJSTCD-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.47
Rot. Bonds12

About 2-dodecoxy-6-hydroxyanthracene-9,10-dione

2-dodecoxy-6-hydroxyanthracene-9,10-dione (PubChem CID 71351025) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-dodecoxy-6-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-dodecoxy-6-hydroxyanthracene-9,10-dione
PubChem CID71351025
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Name2-dodecoxy-6-hydroxyanthracene-9,10-dione
SMILESCCCCCCCCCCCCOc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O
InChIInChI=1S/C26H32O4/c1-2-3-4-5-6-7-8-9-10-11-16-30-20-13-15-22-24(18-20)26(29)21-14-12-19(27)17-23(21)25(22)28/h12-15,17-18,27H,2-11,16H2,1H3
InChIKeyADBOXDQSYJSTCD-UHFFFAOYSA-N
XLogP6.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
2-(11-bromo-11-ethyltridecoxy)-6-hydroxyanthracene-9,10-dione
CID 71032617
CID 88940979
CID 88940979
2-octadecoxytetracene-5,12-dione
CID 19812763
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
(2E)-5-dodecoxy-2-(hydroxymethylidene)indene-1,3-dione
CID 59879740
4-octadecoxyphenol
CID 22179059
4-hexoxybenzene-1,2-diol
CID 23459322
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475
2,7-bis[(E)-2-(4-pentoxyphenyl)ethenyl]anthracene-9,10-dione
CID 122368079
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
3-dodecoxyphenol
CID 15719132

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxy-6-hydroxyanthracene-9,10-dione?
The IUPAC name of 2-dodecoxy-6-hydroxyanthracene-9,10-dione (CID 71351025) is 2-dodecoxy-6-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 2-dodecoxy-6-hydroxyanthracene-9,10-dione?
The canonical SMILES for 2-dodecoxy-6-hydroxyanthracene-9,10-dione is CCCCCCCCCCCCOc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O.
What is the InChIKey of 2-dodecoxy-6-hydroxyanthracene-9,10-dione?
The InChIKey is ADBOXDQSYJSTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O4/c1-2-3-4-5-6-7-8-9-10-11-16-30-20-13-15-22-24(18-20)26(29)21-14-12-19(27)17-23(21)25(22)28/h12-15,17-18,27H,2-11,16H2,1H3.
What are the key properties of 2-dodecoxy-6-hydroxyanthracene-9,10-dione?
2-dodecoxy-6-hydroxyanthracene-9,10-dione has a molecular weight of 408.54 g/mol, XLogP of 6.47, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxy-6-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 71351025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).