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

C16H20O — CID 154711638

IUPAC(2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene
SMILESCC1=C2CCCCC2O[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H20O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-4,7-8,15-16H,5-6,9-11H2,1H3/t15?,16-/m1/s1
InChIKeyUEFQPKKSECWGJM-OEMAIJDKSA-N
MW228.34 g/mol
LogP4.41
Rot. Bonds1

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

(2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene (PubChem CID 154711638) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene.

Molecular Properties

Compound Name(2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene
PubChem CID154711638
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene
SMILESCC1=C2CCCCC2O[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H20O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-4,7-8,15-16H,5-6,9-11H2,1H3/t15?,16-/m1/s1
InChIKeyUEFQPKKSECWGJM-OEMAIJDKSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene?
The IUPAC name of (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene (CID 154711638) is (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene.
What is the SMILES notation for (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene?
The canonical SMILES for (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene is CC1=C2CCCCC2O[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene?
The InChIKey is UEFQPKKSECWGJM-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H20O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-4,7-8,15-16H,5-6,9-11H2,1H3/t15?,16-/m1/s1.
What are the key properties of (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene?
(2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene has a molecular weight of 228.34 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene is sourced from PubChem (CID 154711638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).