(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

C18H18O2 — CID 101410052

IUPAC(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CC[C@H](Cc1ccccc1)C2=O
InChIInChI=1S/C18H18O2/c1-20-16-9-10-17-14(12-16)7-8-15(18(17)19)11-13-5-3-2-4-6-13/h2-6,9-10,12,15H,7-8,11H2,1H3/t15-/m1/s1
InChIKeyMDJBAAIYUBZGJZ-OAHLLOKOSA-N
MW266.34 g/mol
LogP3.68
Rot. Bonds3

About (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 101410052) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID101410052
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CC[C@H](Cc1ccccc1)C2=O
InChIInChI=1S/C18H18O2/c1-20-16-9-10-17-14(12-16)7-8-15(18(17)19)11-13-5-3-2-4-6-13/h2-6,9-10,12,15H,7-8,11H2,1H3/t15-/m1/s1
InChIKeyMDJBAAIYUBZGJZ-OAHLLOKOSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 86574848
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 118558014
6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 11427427
methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 163741476
6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 11623142
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
2-[[3-acetyl-1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one bromide
CID 118558018
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 101410052) is (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CC[C@H](Cc1ccccc1)C2=O.
What is the InChIKey of (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MDJBAAIYUBZGJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18O2/c1-20-16-9-10-17-14(12-16)7-8-15(18(17)19)11-13-5-3-2-4-6-13/h2-6,9-10,12,15H,7-8,11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 101410052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).