6-chloro-11-phenoxytetracene-5,12-dione

C24H13ClO3 — CID 12586342

IUPAC6-chloro-11-phenoxytetracene-5,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(Cl)c1ccccc1c2Oc1ccccc1
InChIInChI=1S/C24H13ClO3/c25-21-15-10-4-7-13-18(15)24(28-14-8-2-1-3-9-14)20-19(21)22(26)16-11-5-6-12-17(16)23(20)27/h1-13H
InChIKeyDOPPATPURMMMIR-UHFFFAOYSA-N
MW384.82 g/mol
LogP6.06
Rot. Bonds2

About 6-chloro-11-phenoxytetracene-5,12-dione

6-chloro-11-phenoxytetracene-5,12-dione (PubChem CID 12586342) has the molecular formula C24H13ClO3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 6-chloro-11-phenoxytetracene-5,12-dione.

Molecular Properties

Compound Name6-chloro-11-phenoxytetracene-5,12-dione
PubChem CID12586342
Molecular FormulaC24H13ClO3
Molecular Weight384.82 g/mol
Exact Mass384.06
IUPAC Name6-chloro-11-phenoxytetracene-5,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(Cl)c1ccccc1c2Oc1ccccc1
InChIInChI=1S/C24H13ClO3/c25-21-15-10-4-7-13-18(15)24(28-14-8-2-1-3-9-14)20-19(21)22(26)16-11-5-6-12-17(16)23(20)27/h1-13H
InChIKeyDOPPATPURMMMIR-UHFFFAOYSA-N
XLogP6.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.82
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-phenoxyanthracene-9,10-dione
CID 2847914
trisodium;9,10-dioxo-3-phenoxyanthracene-1,2,4-trisulfonate;trihydrate
CID 173432414
(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
CID 15294322
2-methyl-11-phenoxytetracene-5,12-dione
CID 101421338
1,2-diphenoxy-10H-anthracen-9-one
CID 23283730
disodium;9,10-dioxo-2-phenoxyanthracene-1,3-disulfonate
CID 88746450
6,11-bis[4-[4-(3,4,5-tridodecoxyphenoxy)phenyl]phenoxy]tetracene-5,12-dione
CID 102108583
N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide
CID 56695964
2-(bromomethyl)-3-chloro-1,4-dimethoxyanthracene-9,10-dione
CID 54576987
1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
1-chloro-4-phenyl-2-sulfanylanthracene-9,10-dione
CID 22759190
6,11-dioxotetracene-5,12-diolate
CID 102258482

Frequently Asked Questions

What is the IUPAC name of 6-chloro-11-phenoxytetracene-5,12-dione?
The IUPAC name of 6-chloro-11-phenoxytetracene-5,12-dione (CID 12586342) is 6-chloro-11-phenoxytetracene-5,12-dione.
What is the SMILES notation for 6-chloro-11-phenoxytetracene-5,12-dione?
The canonical SMILES for 6-chloro-11-phenoxytetracene-5,12-dione is O=C1c2ccccc2C(=O)c2c1c(Cl)c1ccccc1c2Oc1ccccc1.
What is the InChIKey of 6-chloro-11-phenoxytetracene-5,12-dione?
The InChIKey is DOPPATPURMMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClO3/c25-21-15-10-4-7-13-18(15)24(28-14-8-2-1-3-9-14)20-19(21)22(26)16-11-5-6-12-17(16)23(20)27/h1-13H.
What are the key properties of 6-chloro-11-phenoxytetracene-5,12-dione?
6-chloro-11-phenoxytetracene-5,12-dione has a molecular weight of 384.82 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-11-phenoxytetracene-5,12-dione is sourced from PubChem (CID 12586342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).