12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione

C25H20O4 — CID 158502802

IUPAC12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione
SMILESCOc1ccc(C2C3=C(CCCC3=O)CC3=C2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C25H20O4/c1-29-16-11-9-14(10-12-16)22-21-15(5-4-8-20(21)26)13-19-23(22)25(28)18-7-3-2-6-17(18)24(19)27/h2-3,6-7,9-12,22H,4-5,8,13H2,1H3
InChIKeyUUTDHYCEJREFGP-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.61
Rot. Bonds2

About 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione

12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione (PubChem CID 158502802) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione.

Molecular Properties

Compound Name12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione
PubChem CID158502802
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione
SMILESCOc1ccc(C2C3=C(CCCC3=O)CC3=C2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C25H20O4/c1-29-16-11-9-14(10-12-16)22-21-15(5-4-8-20(21)26)13-19-23(22)25(28)18-7-3-2-6-17(18)24(19)27/h2-3,6-7,9-12,22H,4-5,8,13H2,1H3
InChIKeyUUTDHYCEJREFGP-UHFFFAOYSA-N
XLogP4.61
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(4-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
CID 21177329
10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 42645872
(7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 51463498
(2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one
CID 102315074
[4-[(10S)-9,11-dioxo-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-10-yl]phenyl] 3-methylbenzoate
CID 1326848
phenacyl 2-[9-(4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetate
CID 4313702
3-acetyl-4-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 14955184
4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzenesulfonamide
CID 72948464
(9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879292
[4-[(10R)-9,11-dioxo-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-10-yl]phenyl] 4-acetamidobenzenesulfonate
CID 2280950
4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide
CID 72948644
methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 999830

Frequently Asked Questions

What is the IUPAC name of 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione?
The IUPAC name of 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione (CID 158502802) is 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione.
What is the SMILES notation for 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione?
The canonical SMILES for 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione is COc1ccc(C2C3=C(CCCC3=O)CC3=C2C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione?
The InChIKey is UUTDHYCEJREFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c1-29-16-11-9-14(10-12-16)22-21-15(5-4-8-20(21)26)13-19-23(22)25(28)18-7-3-2-6-17(18)24(19)27/h2-3,6-7,9-12,22H,4-5,8,13H2,1H3.
What are the key properties of 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione?
12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione has a molecular weight of 384.43 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-tetracene-1,6,11-trione is sourced from PubChem (CID 158502802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).