(1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde

C15H18O2 — CID 101059430

IUPAC(1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde
SMILESCC(C)[C@@H]1c2ccccc2CC(=O)[C@]1(C)C=O
InChIInChI=1S/C15H18O2/c1-10(2)14-12-7-5-4-6-11(12)8-13(17)15(14,3)9-16/h4-7,9-10,14H,8H2,1-3H3/t14-,15+/m1/s1
InChIKeyZUHGOCYZMPCYDR-CABCVRRESA-N
MW230.31 g/mol
LogP2.76
Rot. Bonds2

About (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde

(1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 101059430) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde
PubChem CID101059430
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde
SMILESCC(C)[C@@H]1c2ccccc2CC(=O)[C@]1(C)C=O
InChIInChI=1S/C15H18O2/c1-10(2)14-12-7-5-4-6-11(12)8-13(17)15(14,3)9-16/h4-7,9-10,14H,8H2,1-3H3/t14-,15+/m1/s1
InChIKeyZUHGOCYZMPCYDR-CABCVRRESA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 157296228
ethane;1-methyl-1,3-dihydroinden-2-one
CID 91072401
3'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine]-2',6'-dione
CID 79320467
9-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbaldehyde
CID 19958800
4-bromo-3,4-dihydro-1H-naphthalen-2-one
CID 143469044
4-iodo-3,4-dihydro-1H-naphthalen-2-one
CID 138626469
1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 12786685
(3S)-3-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 176811342
CID 58620221
CID 58620221
3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one
CID 20693098

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde (CID 101059430) is (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde is CC(C)[C@@H]1c2ccccc2CC(=O)[C@]1(C)C=O.
What is the InChIKey of (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is ZUHGOCYZMPCYDR-CABCVRRESA-N. The full InChI is InChI=1S/C15H18O2/c1-10(2)14-12-7-5-4-6-11(12)8-13(17)15(14,3)9-16/h4-7,9-10,14H,8H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde?
(1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 230.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 101059430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).