(4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol

C15H18O2 — CID 11229978

IUPAC(4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol
SMILESO[C@@]12CC=C(c3ccccc3)O[C@@H]1CCCC2
InChIInChI=1S/C15H18O2/c16-15-10-5-4-8-14(15)17-13(9-11-15)12-6-2-1-3-7-12/h1-3,6-7,9,14,16H,4-5,8,10-11H2/t14-,15+/m1/s1
InChIKeyUOOHIHVPLOBOOJ-CABCVRRESA-N
MW230.31 g/mol
LogP3.12
Rot. Bonds1

About (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol

(4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol (PubChem CID 11229978) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol.

Molecular Properties

Compound Name(4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol
PubChem CID11229978
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol
SMILESO[C@@]12CC=C(c3ccccc3)O[C@@H]1CCCC2
InChIInChI=1S/C15H18O2/c16-15-10-5-4-8-14(15)17-13(9-11-15)12-6-2-1-3-7-12/h1-3,6-7,9,14,16H,4-5,8,10-11H2/t14-,15+/m1/s1
InChIKeyUOOHIHVPLOBOOJ-CABCVRRESA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 10823255
(4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 134978773
(6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol
CID 101123590
(4R,4aS,8aS)-4-benzyl-2,3,4,5,6,7,8,8a-octahydrochromen-4a-ol
CID 161091453
(1R,4aR,8aR)-1-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 51373432
(1S,4aR,8aR)-1-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 907999
(1S,4aS,8aS)-1-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 6542973
(2S,4aR,8aR)-2-(3-chlorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4a-ol
CID 11065421
(3aR,7aS)-2-phenyl-3a-propyl-5,6,7,7a-tetrahydro-4H-1,3-benzoxazole
CID 139265682
6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide
CID 67838432
(3aS,7aS)-2-ethyl-3a-phenyl-5,6,7,7a-tetrahydro-4H-1,3-benzoxazole
CID 139265684
(3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 10630599

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol?
The IUPAC name of (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol (CID 11229978) is (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol.
What is the SMILES notation for (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol?
The canonical SMILES for (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol is O[C@@]12CC=C(c3ccccc3)O[C@@H]1CCCC2.
What is the InChIKey of (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol?
The InChIKey is UOOHIHVPLOBOOJ-CABCVRRESA-N. The full InChI is InChI=1S/C15H18O2/c16-15-10-5-4-8-14(15)17-13(9-11-15)12-6-2-1-3-7-12/h1-3,6-7,9,14,16H,4-5,8,10-11H2/t14-,15+/m1/s1.
What are the key properties of (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol?
(4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol has a molecular weight of 230.31 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol is sourced from PubChem (CID 11229978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).