(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde

C11H10O2 — CID 98051177

IUPAC(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
SMILESO=C[C@H]1CCc2ccccc2C1=O
InChIInChI=1S/C11H10O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,7,9H,5-6H2/t9-/m1/s1
InChIKeyUGOXYXBNKXBHAB-SECBINFHSA-N
MW174.20 g/mol
LogP1.63
Rot. Bonds1

About (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde

(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde (PubChem CID 98051177) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
PubChem CID98051177
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
SMILESO=C[C@H]1CCc2ccccc2C1=O
InChIInChI=1S/C11H10O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,7,9H,5-6H2/t9-/m1/s1
InChIKeyUGOXYXBNKXBHAB-SECBINFHSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.63
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

7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
CID 169445455
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
2-(2-methylpropylsulfanyl)-3,4-dihydro-2H-naphthalen-1-one
CID 118198306
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
2-oxoethyl 1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 18926661
4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)cyclohexane-1,3-dione
CID 163897709
(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129404838
(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 125478212

Frequently Asked Questions

What is the IUPAC name of (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The IUPAC name of (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde (CID 98051177) is (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde.
What is the SMILES notation for (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The canonical SMILES for (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde is O=C[C@H]1CCc2ccccc2C1=O.
What is the InChIKey of (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The InChIKey is UGOXYXBNKXBHAB-SECBINFHSA-N. The full InChI is InChI=1S/C11H10O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,7,9H,5-6H2/t9-/m1/s1.
What are the key properties of (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 98051177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).