2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one

C17H16O — CID 11107385

IUPAC2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one
SMILES[2H]C1(Cc2ccccc2)CCc2ccccc2C1=O
InChIInChI=1S/C17H16O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-9,15H,10-12H2/i15D
InChIKeyLWBKNBIUKKTGEJ-RWFJLFJASA-N
MW237.32 g/mol
LogP3.67
Rot. Bonds2

About 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one

2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one (PubChem CID 11107385) has the molecular formula C17H16O and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one
PubChem CID11107385
Molecular FormulaC17H16O
Molecular Weight237.32 g/mol
Exact Mass237.13
IUPAC Name2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one
SMILES[2H]C1(Cc2ccccc2)CCc2ccccc2C1=O
InChIInChI=1S/C17H16O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-9,15H,10-12H2/i15D
InChIKeyLWBKNBIUKKTGEJ-RWFJLFJASA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-nitrophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 14903548
2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 63399483
2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 10062167
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
2-[(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 107307030
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79428825
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
6-deuterio-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 11105878
2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429583

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one (CID 11107385) is 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one is [2H]C1(Cc2ccccc2)CCc2ccccc2C1=O.
What is the InChIKey of 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one?
The InChIKey is LWBKNBIUKKTGEJ-RWFJLFJASA-N. The full InChI is InChI=1S/C17H16O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-9,15H,10-12H2/i15D.
What are the key properties of 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one?
2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one has a molecular weight of 237.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 11107385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).