(3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran

C12H13ClO2 — CID 10846804

IUPAC(3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran
SMILESCl[C@@H]1C=C[C@@H](OCc2ccccc2)OC1
InChIInChI=1S/C12H13ClO2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2/t11-,12+/m1/s1
InChIKeyDTDZGSTVQNOXHV-NEPJUHHUSA-N
MW224.69 g/mol
LogP2.72
Rot. Bonds3

About (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran

(3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran (PubChem CID 10846804) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran
PubChem CID10846804
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran
SMILESCl[C@@H]1C=C[C@@H](OCc2ccccc2)OC1
InChIInChI=1S/C12H13ClO2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2/t11-,12+/m1/s1
InChIKeyDTDZGSTVQNOXHV-NEPJUHHUSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran 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

(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11275756
(1R,2S,4R,5S)-3-chloro-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]oct-6-ene
CID 102431638
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(4aR,6S,8aS)-2-phenyl-6-phenylmethoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 51063373
(1S,2S,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 46702922
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
2-phenylmethoxyoxetane
CID 23030739
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol
CID 15489662
(2S,3R,6R)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 71403552
(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 102291658

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran?
The IUPAC name of (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran (CID 10846804) is (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran is Cl[C@@H]1C=C[C@@H](OCc2ccccc2)OC1.
What is the InChIKey of (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran?
The InChIKey is DTDZGSTVQNOXHV-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2/t11-,12+/m1/s1.
What are the key properties of (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran?
(3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran has a molecular weight of 224.69 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 10846804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).