(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde

C11H12O3 — CID 124547873

IUPAC(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde
SMILESCOc1ccc2c(c1)OCC[C@@H]2C=O
InChIInChI=1S/C11H12O3/c1-13-9-2-3-10-8(7-12)4-5-14-11(10)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
InChIKeyVIGRVWJDLCZJPS-MRVPVSSYSA-N
MW192.21 g/mol
LogP1.76
Rot. Bonds2

About (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde

(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde (PubChem CID 124547873) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde
PubChem CID124547873
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde
SMILESCOc1ccc2c(c1)OCC[C@@H]2C=O
InChIInChI=1S/C11H12O3/c1-13-9-2-3-10-8(7-12)4-5-14-11(10)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
InChIKeyVIGRVWJDLCZJPS-MRVPVSSYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 83906145
7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 75422627
(4aS,11bS)-9-methoxy-3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine
CID 70404368
N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461741
N-[(5S)-8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 97161642
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide
CID 136564096
6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde
CID 83909235
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 110477525
N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461749

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The IUPAC name of (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde (CID 124547873) is (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde.
What is the SMILES notation for (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The canonical SMILES for (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde is COc1ccc2c(c1)OCC[C@@H]2C=O.
What is the InChIKey of (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The InChIKey is VIGRVWJDLCZJPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-9-2-3-10-8(7-12)4-5-14-11(10)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1.
What are the key properties of (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde is sourced from PubChem (CID 124547873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).