1,5-bis(4-methylphenyl)pentane-2,4-dione

C19H20O2 — CID 158369503

IUPAC1,5-bis(4-methylphenyl)pentane-2,4-dione
SMILESCc1ccc(CC(=O)CC(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H20O2/c1-14-3-7-16(8-4-14)11-18(20)13-19(21)12-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
InChIKeyGULBTZOLCISEAR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.62
Rot. Bonds6

About 1,5-bis(4-methylphenyl)pentane-2,4-dione

1,5-bis(4-methylphenyl)pentane-2,4-dione (PubChem CID 158369503) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1,5-bis(4-methylphenyl)pentane-2,4-dione.

Molecular Properties

Compound Name1,5-bis(4-methylphenyl)pentane-2,4-dione
PubChem CID158369503
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1,5-bis(4-methylphenyl)pentane-2,4-dione
SMILESCc1ccc(CC(=O)CC(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H20O2/c1-14-3-7-16(8-4-14)11-18(20)13-19(21)12-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
InChIKeyGULBTZOLCISEAR-UHFFFAOYSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(4-methylphenyl)pentane-2,4-dione
CID 142280927
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
1,5-bis(4-methylphenyl)pentane-2,4-dione;2,2,3,3,4,4,5-heptamethylhexane
CID 159337751
4-chloro-1-(4-methylphenyl)butan-2-one
CID 57318013
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261
5-hydroxy-1-(4-methylphenyl)pentan-2-one
CID 106677388
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-(4-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 65134686
1-(4-methylphenyl)undecan-2-one
CID 63409898
4-[4-(4-amino-2,4-dioxobutyl)phenyl]-3-oxobutanamide
CID 154143629

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methylphenyl)pentane-2,4-dione?
The IUPAC name of 1,5-bis(4-methylphenyl)pentane-2,4-dione (CID 158369503) is 1,5-bis(4-methylphenyl)pentane-2,4-dione.
What is the SMILES notation for 1,5-bis(4-methylphenyl)pentane-2,4-dione?
The canonical SMILES for 1,5-bis(4-methylphenyl)pentane-2,4-dione is Cc1ccc(CC(=O)CC(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1,5-bis(4-methylphenyl)pentane-2,4-dione?
The InChIKey is GULBTZOLCISEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-14-3-7-16(8-4-14)11-18(20)13-19(21)12-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3.
What are the key properties of 1,5-bis(4-methylphenyl)pentane-2,4-dione?
1,5-bis(4-methylphenyl)pentane-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methylphenyl)pentane-2,4-dione is sourced from PubChem (CID 158369503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).