2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde

C11H12O2 — CID 54477156

IUPAC2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
SMILESO=CCC1CCc2ccccc2O1
InChIInChI=1S/C11H12O2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,8,10H,5-7H2
InChIKeyXMJYQJKSLGZLIB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.97
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde

2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde (PubChem CID 54477156) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
PubChem CID54477156
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
SMILESO=CCC1CCc2ccccc2O1
InChIInChI=1S/C11H12O2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,8,10H,5-7H2
InChIKeyXMJYQJKSLGZLIB-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 54208872
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol
CID 67581666
4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1,2,4-triazole
CID 50965959
2-(difluoromethoxymethyl)-3,4-dihydro-2H-chromene
CID 163222414
2-(4-chlorobutyl)-3,4-dihydro-2H-chromene
CID 142039249
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 134128099
1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
CID 22573243

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde (CID 54477156) is 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde is O=CCC1CCc2ccccc2O1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde?
The InChIKey is XMJYQJKSLGZLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,8,10H,5-7H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde?
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde is sourced from PubChem (CID 54477156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).