3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde

C13H14O2 — CID 130632278

IUPAC3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
SMILESO=CC1(C2CC2)COc2ccccc2C1
InChIInChI=1S/C13H14O2/c14-8-13(11-5-6-11)7-10-3-1-2-4-12(10)15-9-13/h1-4,8,11H,5-7,9H2
InChIKeyGZVZGLHNDOFOLD-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.22
Rot. Bonds2

About 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde

3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde (PubChem CID 130632278) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
PubChem CID130632278
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
SMILESO=CC1(C2CC2)COc2ccccc2C1
InChIInChI=1S/C13H14O2/c14-8-13(11-5-6-11)7-10-3-1-2-4-12(10)15-9-13/h1-4,8,11H,5-7,9H2
InChIKeyGZVZGLHNDOFOLD-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.22
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

3-methoxy-2,4-dihydrochromene-3-carbaldehyde
CID 130631253
3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde
CID 130704898
(3S)-3-methyl-2,4-dihydrochromen-3-ol
CID 163222084
3-methyl-2,4-dihydrochromen-3-ol
CID 71345229
[3-(1,1-dioxothiolan-3-yl)-2,4-dihydrochromen-3-yl]methanamine
CID 65406928
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
2-tert-butyl-3H-1-benzofuran-2-carbaldehyde
CID 117046047
spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]
CID 19919894
2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]
CID 130840671
3-(2-hydroxycyclohexyl)-2,4-dihydrochromene-3-carboxylic acid
CID 79428973
3-(4-ethyl-1-hydroxycyclohexyl)-2,4-dihydrochromene-3-carbonitrile
CID 79116167
spiro[2,4-dihydrochromene-3,5'-pyrrolidine]-2'-one
CID 10560073

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde?
The IUPAC name of 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde (CID 130632278) is 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde.
What is the SMILES notation for 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde?
The canonical SMILES for 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde is O=CC1(C2CC2)COc2ccccc2C1.
What is the InChIKey of 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde?
The InChIKey is GZVZGLHNDOFOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-8-13(11-5-6-11)7-10-3-1-2-4-12(10)15-9-13/h1-4,8,11H,5-7,9H2.
What are the key properties of 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde?
3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde is sourced from PubChem (CID 130632278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).