(2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene

C19H20O — CID 102482088

IUPAC(2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene
SMILESC[C@@H]1C[C@@H]2c3ccccc3OC[C@]2(c2ccccc2)C1
InChIInChI=1S/C19H20O/c1-14-11-17-16-9-5-6-10-18(16)20-13-19(17,12-14)15-7-3-2-4-8-15/h2-10,14,17H,11-13H2,1H3/t14-,17-,19+/m1/s1
InChIKeyNJPSEIBTCYARRR-BJZITVGISA-N
MW264.37 g/mol
LogP4.53
Rot. Bonds1

About (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene

(2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene (PubChem CID 102482088) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene.

Molecular Properties

Compound Name(2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene
PubChem CID102482088
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene
SMILESC[C@@H]1C[C@@H]2c3ccccc3OC[C@]2(c2ccccc2)C1
InChIInChI=1S/C19H20O/c1-14-11-17-16-9-5-6-10-18(16)20-13-19(17,12-14)15-7-3-2-4-8-15/h2-10,14,17H,11-13H2,1H3/t14-,17-,19+/m1/s1
InChIKeyNJPSEIBTCYARRR-BJZITVGISA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene?
The IUPAC name of (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene (CID 102482088) is (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene.
What is the SMILES notation for (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene?
The canonical SMILES for (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene is C[C@@H]1C[C@@H]2c3ccccc3OC[C@]2(c2ccccc2)C1.
What is the InChIKey of (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene?
The InChIKey is NJPSEIBTCYARRR-BJZITVGISA-N. The full InChI is InChI=1S/C19H20O/c1-14-11-17-16-9-5-6-10-18(16)20-13-19(17,12-14)15-7-3-2-4-8-15/h2-10,14,17H,11-13H2,1H3/t14-,17-,19+/m1/s1.
What are the key properties of (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene?
(2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene has a molecular weight of 264.37 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene is sourced from PubChem (CID 102482088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).