(5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene

C16H20O — CID 102517948

IUPAC(5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
SMILESC[C@@H]1CCC2=C(CCCO2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H20O/c1-12-9-10-15-14(8-5-11-17-15)16(12)13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11H2,1H3/t12-,16+/m1/s1
InChIKeyXPRDLWDAUFCYGO-WBMJQRKESA-N
MW228.34 g/mol
LogP4.26
Rot. Bonds1

About (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene

(5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene (PubChem CID 102517948) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene.

Molecular Properties

Compound Name(5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
PubChem CID102517948
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
SMILESC[C@@H]1CCC2=C(CCCO2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H20O/c1-12-9-10-15-14(8-5-11-17-15)16(12)13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11H2,1H3/t12-,16+/m1/s1
InChIKeyXPRDLWDAUFCYGO-WBMJQRKESA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The IUPAC name of (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene (CID 102517948) is (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene.
What is the SMILES notation for (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The canonical SMILES for (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene is C[C@@H]1CCC2=C(CCCO2)[C@@H]1c1ccccc1.
What is the InChIKey of (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The InChIKey is XPRDLWDAUFCYGO-WBMJQRKESA-N. The full InChI is InChI=1S/C16H20O/c1-12-9-10-15-14(8-5-11-17-15)16(12)13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene?
(5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene has a molecular weight of 228.34 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-methyl-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene is sourced from PubChem (CID 102517948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).