(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde

C11H12O3 — CID 92669931

IUPAC(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde
SMILESCOc1ccc2c(c1)C[C@@H](C=O)CO2
InChIInChI=1S/C11H12O3/c1-13-10-2-3-11-9(5-10)4-8(6-12)7-14-11/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
InChIKeyDYHXFAJTGNWESY-QMMMGPOBSA-N
MW192.21 g/mol
LogP1.45
Rot. Bonds2

About (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde

(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde (PubChem CID 92669931) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde
PubChem CID92669931
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde
SMILESCOc1ccc2c(c1)C[C@@H](C=O)CO2
InChIInChI=1S/C11H12O3/c1-13-10-2-3-11-9(5-10)4-8(6-12)7-14-11/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
InChIKeyDYHXFAJTGNWESY-QMMMGPOBSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde?
The IUPAC name of (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde (CID 92669931) is (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde.
What is the SMILES notation for (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde?
The canonical SMILES for (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde is COc1ccc2c(c1)C[C@@H](C=O)CO2.
What is the InChIKey of (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde?
The InChIKey is DYHXFAJTGNWESY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-10-2-3-11-9(5-10)4-8(6-12)7-14-11/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde?
(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 92669931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).