(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one

C14H18O — CID 14921451

IUPAC(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)C[C@H]1CCc2ccccc2C1=O
InChIInChI=1S/C14H18O/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyICADQKCRWNJHBN-GFCCVEGCSA-N
MW202.30 g/mol
LogP3.48
Rot. Bonds2

About (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one

(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 14921451) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID14921451
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)C[C@H]1CCc2ccccc2C1=O
InChIInChI=1S/C14H18O/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyICADQKCRWNJHBN-GFCCVEGCSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
2-(2-methylpropylsulfanyl)-3,4-dihydro-2H-naphthalen-1-one
CID 118198306
(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 125478186
2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429583
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84620035
2-(2-methyl-2-nitropropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12733661
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79428825
2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one
CID 103410639
(2S)-2-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 57232456

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one (CID 14921451) is (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one is CC(C)C[C@H]1CCc2ccccc2C1=O.
What is the InChIKey of (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ICADQKCRWNJHBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18O/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one?
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 14921451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).