(6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran

C13H16O3 — CID 134928854

IUPAC(6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran
SMILESCOc1ccc(OC)c([C@H]2C=CCCO2)c1
InChIInChI=1S/C13H16O3/c1-14-10-6-7-12(15-2)11(9-10)13-5-3-4-8-16-13/h3,5-7,9,13H,4,8H2,1-2H3/t13-/m1/s1
InChIKeyRSIHZWILWJAGNS-CYBMUJFWSA-N
MW220.27 g/mol
LogP2.72
Rot. Bonds3

About (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran

(6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran (PubChem CID 134928854) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran
PubChem CID134928854
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran
SMILESCOc1ccc(OC)c([C@H]2C=CCCO2)c1
InChIInChI=1S/C13H16O3/c1-14-10-6-7-12(15-2)11(9-10)13-5-3-4-8-16-13/h3,5-7,9,13H,4,8H2,1-2H3/t13-/m1/s1
InChIKeyRSIHZWILWJAGNS-CYBMUJFWSA-N
XLogP2.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxyphenyl)oxan-3-amine
CID 79364595
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
2-cyclopent-2-en-1-yl-4-methoxyphenol
CID 12507154
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine
CID 95135764
N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline
CID 14931345
5-(2,5-dimethoxyphenyl)-2-methylmorpholine
CID 82291906
(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
CID 7357039
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline
CID 107906285
2-cyclopent-2-en-1-yl-4-methoxyaniline
CID 13003824
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran (CID 134928854) is (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran is COc1ccc(OC)c([C@H]2C=CCCO2)c1.
What is the InChIKey of (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran?
The InChIKey is RSIHZWILWJAGNS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16O3/c1-14-10-6-7-12(15-2)11(9-10)13-5-3-4-8-16-13/h3,5-7,9,13H,4,8H2,1-2H3/t13-/m1/s1.
What are the key properties of (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran?
(6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran has a molecular weight of 220.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134928854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).