5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C17H17FO2 — CID 169410303

IUPAC5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc(-c2cccc3c2CCCC3O)c(F)c1
InChIInChI=1S/C17H17FO2/c1-20-11-8-9-14(16(18)10-11)12-4-2-6-15-13(12)5-3-7-17(15)19/h2,4,6,8-10,17,19H,3,5,7H2,1H3
InChIKeyCVKBNMFVJOOKFG-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.87
Rot. Bonds2

About 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 169410303) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID169410303
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc(-c2cccc3c2CCCC3O)c(F)c1
InChIInChI=1S/C17H17FO2/c1-20-11-8-9-14(16(18)10-11)12-4-2-6-15-13(12)5-3-7-17(15)19/h2,4,6,8-10,17,19H,3,5,7H2,1H3
InChIKeyCVKBNMFVJOOKFG-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 169410303) is 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc(-c2cccc3c2CCCC3O)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is CVKBNMFVJOOKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-20-11-8-9-14(16(18)10-11)12-4-2-6-15-13(12)5-3-7-17(15)19/h2,4,6,8-10,17,19H,3,5,7H2,1H3.
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 272.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 169410303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).