(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde

C12H12O — CID 10749718

IUPAC(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde
SMILESC[C@@H]1C=Cc2ccccc2[C@H]1C=O
InChIInChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h2-9,12H,1H3/t9-,12+/m1/s1
InChIKeySEVJZOMKOOIBKI-SKDRFNHKSA-N
MW172.23 g/mol
LogP2.63
Rot. Bonds1

About (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde

(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde (PubChem CID 10749718) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde
PubChem CID10749718
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde
SMILESC[C@@H]1C=Cc2ccccc2[C@H]1C=O
InChIInChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h2-9,12H,1H3/t9-,12+/m1/s1
InChIKeySEVJZOMKOOIBKI-SKDRFNHKSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
1H-inden-1-yl formate
CID 54514146
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
3-(1H-inden-1-yl)-2-methylprop-2-enoic acid
CID 67527584
1H-indene-1-sulfinic acid
CID 57090010
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
N-benzyl-2-[(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine
CID 10802506
1H-isochromene-1-carbaldehyde
CID 11116334
N-[dimethylamino(1H-inden-1-yl)boranyl]-N-methylmethanamine
CID 15872798
2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
CID 87384512

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde?
The IUPAC name of (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde (CID 10749718) is (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde.
What is the SMILES notation for (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde?
The canonical SMILES for (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde is C[C@@H]1C=Cc2ccccc2[C@H]1C=O.
What is the InChIKey of (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde?
The InChIKey is SEVJZOMKOOIBKI-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h2-9,12H,1H3/t9-,12+/m1/s1.
What are the key properties of (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde?
(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde has a molecular weight of 172.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 10749718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).