3-benzhydryl-2-methylcyclobutan-1-one

C18H18O — CID 13283418

IUPAC3-benzhydryl-2-methylcyclobutan-1-one
SMILESCC1C(=O)CC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-13-16(12-17(13)19)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3
InChIKeyDMWHCMQJMPDUSA-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.04
Rot. Bonds3

About 3-benzhydryl-2-methylcyclobutan-1-one

3-benzhydryl-2-methylcyclobutan-1-one (PubChem CID 13283418) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-benzhydryl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-benzhydryl-2-methylcyclobutan-1-one
PubChem CID13283418
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-benzhydryl-2-methylcyclobutan-1-one
SMILESCC1C(=O)CC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-13-16(12-17(13)19)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3
InChIKeyDMWHCMQJMPDUSA-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-benzhydryl-3-methylpiperidine
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CID 59919081
(2R)-1-benzhydryl-2-methylazetidin-3-one
CID 92860345
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one
CID 104591595
5-methyl-2-(1-phenylethyl)-1,3-dioxepane-4,7-dione
CID 67881948
(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2-methylcyclobutan-1-one?
The IUPAC name of 3-benzhydryl-2-methylcyclobutan-1-one (CID 13283418) is 3-benzhydryl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-benzhydryl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-benzhydryl-2-methylcyclobutan-1-one is CC1C(=O)CC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-2-methylcyclobutan-1-one?
The InChIKey is DMWHCMQJMPDUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-13-16(12-17(13)19)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3.
What are the key properties of 3-benzhydryl-2-methylcyclobutan-1-one?
3-benzhydryl-2-methylcyclobutan-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2-methylcyclobutan-1-one is sourced from PubChem (CID 13283418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).