(3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran

C14H16O — CID 101427914

IUPAC(3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
SMILESC1=C2CCC[C@@H]2C[C@H](c2ccccc2)O1
InChIInChI=1S/C14H16O/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-15-14/h1-3,5-6,10,12,14H,4,7-9H2/t12-,14-/m1/s1
InChIKeyACESUYRIQZBGMF-TZMCWYRMSA-N
MW200.28 g/mol
LogP3.83
Rot. Bonds1

About (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran

(3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran (PubChem CID 101427914) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran.

Molecular Properties

Compound Name(3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
PubChem CID101427914
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
SMILESC1=C2CCC[C@@H]2C[C@H](c2ccccc2)O1
InChIInChI=1S/C14H16O/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-15-14/h1-3,5-6,10,12,14H,4,7-9H2/t12-,14-/m1/s1
InChIKeyACESUYRIQZBGMF-TZMCWYRMSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,7aS)-1-phenyl-1,4,5,6,7,7a-hexahydro-2-benzofuran
CID 11241081
(6R)-2-methylidene-6-phenyloxane
CID 125486345
2-methylidene-6-phenyloxane
CID 102035384
cyclopentylbenzene;iron
CID 158512704
CID 159076923
CID 159076923
(3R)-3-phenylcyclohexan-1-one
CID 11041212
6-phenyloxathiane
CID 154084177
2-phenyloxirane
CID 7276
8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene
CID 140590307
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
benzene;cyclopropylbenzene
CID 144638417
3-phenylcyclohexan-1-imine
CID 68929639

Frequently Asked Questions

What is the IUPAC name of (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran?
The IUPAC name of (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran (CID 101427914) is (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran.
What is the SMILES notation for (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran?
The canonical SMILES for (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran is C1=C2CCC[C@@H]2C[C@H](c2ccccc2)O1.
What is the InChIKey of (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran?
The InChIKey is ACESUYRIQZBGMF-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H16O/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-15-14/h1-3,5-6,10,12,14H,4,7-9H2/t12-,14-/m1/s1.
What are the key properties of (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran?
(3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran has a molecular weight of 200.28 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran is sourced from PubChem (CID 101427914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).