(2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene

C18H25FO2 — CID 154574107

IUPAC(2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene
SMILESCOc1ccc([C@H]2C[C@@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1
InChIInChI=1S/C18H25FO2/c1-12-4-9-15-16(10-12)21-17(11-18(15,2)19)13-5-7-14(20-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3/t12-,15-,16-,17-,18-/m1/s1
InChIKeyUGPBJHZCKAKUGI-WYGQYTNYSA-N
MW292.39 g/mol
LogP4.69
Rot. Bonds2

About (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene

(2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene (PubChem CID 154574107) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name(2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene
PubChem CID154574107
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name(2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene
SMILESCOc1ccc([C@H]2C[C@@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1
InChIInChI=1S/C18H25FO2/c1-12-4-9-15-16(10-12)21-17(11-18(15,2)19)13-5-7-14(20-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3/t12-,15-,16-,17-,18-/m1/s1
InChIKeyUGPBJHZCKAKUGI-WYGQYTNYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene with MolForge

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Related Compounds

(2R,4aR,7R,8aR)-2-(4-hydroxy-3-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 162658423
N-[(4R,4aS,7R,8aR)-4,7-dimethyl-2-(4-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]acetamide
CID 110143804
N-[(2R,4S,4aS,7R,8aR)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]-2-methylpropanamide
CID 110153090
(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 10944319
N-[(2R,4R,4aS,7R,8aR)-2-(4-acetamidophenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]-2-methylpropanamide
CID 110142465
N-[(2R,4R,4aS,7R,8aR)-2-(3,4-dimethoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]-2-phenylacetamide
CID 155987267
(2S,5R)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)oxolane
CID 11807821
4-[(4aR,7R,8aR)-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-2-yl]-2-methoxyphenol
CID 59592158
N-[(2R,4S,4aS,7R,8aR)-2-(3-fluorophenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]-2-methylpropanamide
CID 110142517
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
CID 62526803
ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
CID 143890955

Frequently Asked Questions

What is the IUPAC name of (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene?
The IUPAC name of (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene (CID 154574107) is (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene.
What is the SMILES notation for (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene?
The canonical SMILES for (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene is COc1ccc([C@H]2C[C@@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1.
What is the InChIKey of (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene?
The InChIKey is UGPBJHZCKAKUGI-WYGQYTNYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-12-4-9-15-16(10-12)21-17(11-18(15,2)19)13-5-7-14(20-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3/t12-,15-,16-,17-,18-/m1/s1.
What are the key properties of (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene?
(2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene has a molecular weight of 292.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene is sourced from PubChem (CID 154574107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).