1,5-bis(2-methylphenyl)pentan-3-one

C19H22O — CID 15191871

IUPAC1,5-bis(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1CCC(=O)CCc1ccccc1C
InChIInChI=1S/C19H22O/c1-15-7-3-5-9-17(15)11-13-19(20)14-12-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3
InChIKeyXMEKGEUMQFUKBX-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.44
Rot. Bonds6

About 1,5-bis(2-methylphenyl)pentan-3-one

1,5-bis(2-methylphenyl)pentan-3-one (PubChem CID 15191871) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,5-bis(2-methylphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(2-methylphenyl)pentan-3-one
PubChem CID15191871
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1,5-bis(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1CCC(=O)CCc1ccccc1C
InChIInChI=1S/C19H22O/c1-15-7-3-5-9-17(15)11-13-19(20)14-12-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3
InChIKeyXMEKGEUMQFUKBX-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-methylphenyl)pentan-3-one?
The IUPAC name of 1,5-bis(2-methylphenyl)pentan-3-one (CID 15191871) is 1,5-bis(2-methylphenyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(2-methylphenyl)pentan-3-one?
The canonical SMILES for 1,5-bis(2-methylphenyl)pentan-3-one is Cc1ccccc1CCC(=O)CCc1ccccc1C.
What is the InChIKey of 1,5-bis(2-methylphenyl)pentan-3-one?
The InChIKey is XMEKGEUMQFUKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-15-7-3-5-9-17(15)11-13-19(20)14-12-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1,5-bis(2-methylphenyl)pentan-3-one?
1,5-bis(2-methylphenyl)pentan-3-one has a molecular weight of 266.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-methylphenyl)pentan-3-one is sourced from PubChem (CID 15191871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).