(2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol

C17H24O2 — CID 162653065

IUPAC(2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H](c1ccccc1)CC2(C)O
InChIInChI=1S/C17H24O2/c1-12-8-9-14-15(10-12)19-16(11-17(14,2)18)13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t12-,14-,15-,16-,17?/m1/s1
InChIKeyGMLMQEDEACTMMO-JGOAXVPOSA-N
MW260.38 g/mol
LogP3.70
Rot. Bonds1

About (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol

(2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol (PubChem CID 162653065) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol.

Molecular Properties

Compound Name(2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol
PubChem CID162653065
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H](c1ccccc1)CC2(C)O
InChIInChI=1S/C17H24O2/c1-12-8-9-14-15(10-12)19-16(11-17(14,2)18)13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t12-,14-,15-,16-,17?/m1/s1
InChIKeyGMLMQEDEACTMMO-JGOAXVPOSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 371701
Isolophanthin B
CID 53496761
2-Methyl-2-phenyloxan-4-ol
CID 22413814
(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol
CID 71819415
(4aR,8R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrochromene-4,8-diol
CID 134139322
(4aR,8R,8aR)-2-(4-fluorophenyl)-4,7-dimethyl-2,3,4a,5,8,8a-hexahydrochromene-4,8-diol
CID 134153036
(4aR,8R,8aR)-4-fluoro-4,7-dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrochromen-8-ol
CID 134153727
(2R,4aR,7R,8aR)-2-(2-hydroxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 162647900
(2R,4aR,7R,8aR)-2-(4-fluorophenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 162653704

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol?
The IUPAC name of (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol (CID 162653065) is (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol.
What is the SMILES notation for (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol?
The canonical SMILES for (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H](c1ccccc1)CC2(C)O.
What is the InChIKey of (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol?
The InChIKey is GMLMQEDEACTMMO-JGOAXVPOSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-8-9-14-15(10-12)19-16(11-17(14,2)18)13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t12-,14-,15-,16-,17?/m1/s1.
What are the key properties of (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol?
(2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol has a molecular weight of 260.38 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,7R,8aR)-4,7-dimethyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol is sourced from PubChem (CID 162653065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).