(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

C15H20O — CID 134961607

IUPAC(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESc1ccc([C@H]2CC[C@@H]3CCCC[C@H]3O2)cc1
InChIInChI=1S/C15H20O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-3,6-7,13-15H,4-5,8-11H2/t13-,14+,15+/m0/s1
InChIKeyFVCACEIFXBOOGH-RRFJBIMHSA-N
MW216.32 g/mol
LogP4.10
Rot. Bonds1

About (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 134961607) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID134961607
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESc1ccc([C@H]2CC[C@@H]3CCCC[C@H]3O2)cc1
InChIInChI=1S/C15H20O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-3,6-7,13-15H,4-5,8-11H2/t13-,14+,15+/m0/s1
InChIKeyFVCACEIFXBOOGH-RRFJBIMHSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene with MolForge

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Related Compounds

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(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 10944319
3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
CID 130149634
(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
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(2R,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-phenyloxolane
CID 102174724
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
(2S,6R)-2-cyclopropyl-N,N-dimethyl-6-phenylmorpholine-4-sulfonamide
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CID 101344860

Frequently Asked Questions

What is the IUPAC name of (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 134961607) is (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is c1ccc([C@H]2CC[C@@H]3CCCC[C@H]3O2)cc1.
What is the InChIKey of (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is FVCACEIFXBOOGH-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H20O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-3,6-7,13-15H,4-5,8-11H2/t13-,14+,15+/m0/s1.
What are the key properties of (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 216.32 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 134961607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).