1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol

C18H25FO2 — CID 115828514

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)C2CCC3CCCCC3C2)c1F
InChIInChI=1S/C18H25FO2/c1-21-16-8-4-7-15(17(16)19)18(20)14-10-9-12-5-2-3-6-13(12)11-14/h4,7-8,12-14,18,20H,2-3,5-6,9-11H2,1H3
InChIKeyOZEWRAKXLVXNLO-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.47
Rot. Bonds3

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 115828514) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID115828514
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)C2CCC3CCCCC3C2)c1F
InChIInChI=1S/C18H25FO2/c1-21-16-8-4-7-15(17(16)19)18(20)14-10-9-12-5-2-3-6-13(12)11-14/h4,7-8,12-14,18,20H,2-3,5-6,9-11H2,1H3
InChIKeyOZEWRAKXLVXNLO-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol with MolForge

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Related Compounds

cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805925
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 104546339
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
[3-bicyclo[3.1.0]hexanyl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329307
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 113342471
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol (CID 115828514) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)C2CCC3CCCCC3C2)c1F.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is OZEWRAKXLVXNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-21-16-8-4-7-15(17(16)19)18(20)14-10-9-12-5-2-3-6-13(12)11-14/h4,7-8,12-14,18,20H,2-3,5-6,9-11H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 292.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 115828514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).