(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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Related Compounds

(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene
CID 144757857
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82605158
1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580903
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
CID 53210049
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid
CID 119358196
9-methoxy-4,4a,5,11-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazepin-2-one
CID 25118820
(3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124627199
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117153

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).