(2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran

C17H24O2 — CID 11322929

IUPAC(2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran
SMILESCCCCC[C@@H]1CC=C[C@@H](c2ccc(OC)cc2)O1
InChIInChI=1S/C17H24O2/c1-3-4-5-7-16-8-6-9-17(19-16)14-10-12-15(18-2)13-11-14/h6,9-13,16-17H,3-5,7-8H2,1-2H3/t16-,17+/m1/s1
InChIKeyPUOWRJKNMXRABT-SJORKVTESA-N
MW260.38 g/mol
LogP4.66
Rot. Bonds6

About (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran

(2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran (PubChem CID 11322929) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran
PubChem CID11322929
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran
SMILESCCCCC[C@@H]1CC=C[C@@H](c2ccc(OC)cc2)O1
InChIInChI=1S/C17H24O2/c1-3-4-5-7-16-8-6-9-17(19-16)14-10-12-15(18-2)13-11-14/h6,9-13,16-17H,3-5,7-8H2,1-2H3/t16-,17+/m1/s1
InChIKeyPUOWRJKNMXRABT-SJORKVTESA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-heptyl-2-(4-methoxyphenyl)-1,3-dioxane
CID 23041057
2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-1,4-dioxane
CID 57282111
(2S,7R)-2-hexyl-7-propyl-2,3,6,7-tetrahydrooxepine
CID 11009621
6-butyl-3-(4-methoxyphenyl)oxan-2-one
CID 21247895
1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
2-methoxy-5-(4-methoxyphenyl)-2,5-dihydrofuran
CID 135056905
1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
6-butyl-2-(4-methoxyphenyl)spiro[3.3]heptane
CID 19387563
2-(4-butoxyphenyl)-4-pentyl-1,3-dioxane
CID 23041609
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 144714458
2-hexyl-6-(4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384918
(4-methoxyphenyl)-[(2S,3R)-3-pentyloxiran-2-yl]methanone
CID 87794679

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran (CID 11322929) is (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran is CCCCC[C@@H]1CC=C[C@@H](c2ccc(OC)cc2)O1.
What is the InChIKey of (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran?
The InChIKey is PUOWRJKNMXRABT-SJORKVTESA-N. The full InChI is InChI=1S/C17H24O2/c1-3-4-5-7-16-8-6-9-17(19-16)14-10-12-15(18-2)13-11-14/h6,9-13,16-17H,3-5,7-8H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran?
(2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran has a molecular weight of 260.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-(4-methoxyphenyl)-2-pentyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11322929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).