7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C25H25FO2 — CID 59498589

IUPAC7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC1C(c2ccc(O)cc2)Cc2ccc(O)cc2C1Cc1ccccc1F
InChIInChI=1S/C25H25FO2/c1-2-21-22(16-7-10-19(27)11-8-16)13-17-9-12-20(28)15-23(17)24(21)14-18-5-3-4-6-25(18)26/h3-12,15,21-22,24,27-28H,2,13-14H2,1H3
InChIKeyAXKYYJVXDLJKAT-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.93
Rot. Bonds4

About 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 59498589) has the molecular formula C25H25FO2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID59498589
Molecular FormulaC25H25FO2
Molecular Weight376.47 g/mol
Exact Mass376.18
IUPAC Name7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC1C(c2ccc(O)cc2)Cc2ccc(O)cc2C1Cc1ccccc1F
InChIInChI=1S/C25H25FO2/c1-2-21-22(16-7-10-19(27)11-8-16)13-17-9-12-20(28)15-23(17)24(21)14-18-5-3-4-6-25(18)26/h3-12,15,21-22,24,27-28H,2,13-14H2,1H3
InChIKeyAXKYYJVXDLJKAT-UHFFFAOYSA-N
XLogP5.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 59498589) is 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is CCC1C(c2ccc(O)cc2)Cc2ccc(O)cc2C1Cc1ccccc1F.
What is the InChIKey of 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is AXKYYJVXDLJKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FO2/c1-2-21-22(16-7-10-19(27)11-8-16)13-17-9-12-20(28)15-23(17)24(21)14-18-5-3-4-6-25(18)26/h3-12,15,21-22,24,27-28H,2,13-14H2,1H3.
What are the key properties of 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 376.47 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 59498589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).