6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran

C16H18O3 — CID 11379890

IUPAC6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran
SMILESCOc1ccc([C@@H]2C=C[C@@H](C3=CCCCO3)O2)cc1
InChIInChI=1S/C16H18O3/c1-17-13-7-5-12(6-8-13)14-9-10-16(19-14)15-4-2-3-11-18-15/h4-10,14,16H,2-3,11H2,1H3/t14-,16-/m0/s1
InChIKeyJHEMTNQCULWDQG-HOCLYGCPSA-N
MW258.32 g/mol
LogP3.39
Rot. Bonds3

About 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran

6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran (PubChem CID 11379890) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran
PubChem CID11379890
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran
SMILESCOc1ccc([C@@H]2C=C[C@@H](C3=CCCCO3)O2)cc1
InChIInChI=1S/C16H18O3/c1-17-13-7-5-12(6-8-13)14-9-10-16(19-14)15-4-2-3-11-18-15/h4-10,14,16H,2-3,11H2,1H3/t14-,16-/m0/s1
InChIKeyJHEMTNQCULWDQG-HOCLYGCPSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.39
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-methoxy-5-(4-methoxyphenyl)-2,5-dihydrofuran
CID 135056905
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol
CID 102646408
N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 171393515
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran
CID 11322929
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
(2S,5Z,8S)-8-(4-methoxyphenyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine
CID 134848928
trans-(8R,9R)-8,9-bis(4-methoxyphenyl)-1,4-dioxa-7,10-diazacyclododecane
CID 10905147
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
2,3-bis(4-methoxyphenoxy)-1,4-dioxane
CID 13494254
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran (CID 11379890) is 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran is COc1ccc([C@@H]2C=C[C@@H](C3=CCCCO3)O2)cc1.
What is the InChIKey of 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran?
The InChIKey is JHEMTNQCULWDQG-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H18O3/c1-17-13-7-5-12(6-8-13)14-9-10-16(19-14)15-4-2-3-11-18-15/h4-10,14,16H,2-3,11H2,1H3/t14-,16-/m0/s1.
What are the key properties of 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran?
6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran has a molecular weight of 258.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11379890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).