3-methoxy-2,4-dihydrochromene-3-carbaldehyde

C11H12O3 — CID 130631253

IUPAC3-methoxy-2,4-dihydrochromene-3-carbaldehyde
SMILESCOC1(C=O)COc2ccccc2C1
InChIInChI=1S/C11H12O3/c1-13-11(7-12)6-9-4-2-3-5-10(9)14-8-11/h2-5,7H,6,8H2,1H3
InChIKeyJDRZBJHRVQIRKX-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.21
Rot. Bonds2

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

3-methoxy-2,4-dihydrochromene-3-carbaldehyde (PubChem CID 130631253) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-methoxy-2,4-dihydrochromene-3-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-2,4-dihydrochromene-3-carbaldehyde
PubChem CID130631253
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-methoxy-2,4-dihydrochromene-3-carbaldehyde
SMILESCOC1(C=O)COc2ccccc2C1
InChIInChI=1S/C11H12O3/c1-13-11(7-12)6-9-4-2-3-5-10(9)14-8-11/h2-5,7H,6,8H2,1H3
InChIKeyJDRZBJHRVQIRKX-UHFFFAOYSA-N
XLogP1.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
CID 130632278
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
N-(2-methoxy-3H-1-benzofuran-2-yl)formamide
CID 130012547
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
3-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-hydroxybutanal
CID 79124689
2-propan-2-yl-3H-1-benzofuran-2-carbaldehyde
CID 117046048
2-tert-butyl-3H-1-benzofuran-2-carbaldehyde
CID 117046047
3-prop-1-ynyl-2,4-dihydrochromen-3-ol
CID 130605047
3-(methylamino)-2,4-dihydrochromene-3-carboxamide
CID 130605065
3-ethyl-2,4-dihydrochromene-3-carbonitrile
CID 65409375

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dihydrochromene-3-carbaldehyde?
The IUPAC name of 3-methoxy-2,4-dihydrochromene-3-carbaldehyde (CID 130631253) is 3-methoxy-2,4-dihydrochromene-3-carbaldehyde.
What is the SMILES notation for 3-methoxy-2,4-dihydrochromene-3-carbaldehyde?
The canonical SMILES for 3-methoxy-2,4-dihydrochromene-3-carbaldehyde is COC1(C=O)COc2ccccc2C1.
What is the InChIKey of 3-methoxy-2,4-dihydrochromene-3-carbaldehyde?
The InChIKey is JDRZBJHRVQIRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-11(7-12)6-9-4-2-3-5-10(9)14-8-11/h2-5,7H,6,8H2,1H3.
What are the key properties of 3-methoxy-2,4-dihydrochromene-3-carbaldehyde?
3-methoxy-2,4-dihydrochromene-3-carbaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dihydrochromene-3-carbaldehyde is sourced from PubChem (CID 130631253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).