6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol

C20H22F2O — CID 142035383

IUPAC6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC(C)c1ccc(C2CCc3c(cc(F)c(O)c3F)C2)cc1
InChIInChI=1S/C20H22F2O/c1-3-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(21)20(23)19(17)22/h4-7,11-12,15,23H,3,8-10H2,1-2H3
InChIKeyLXNRMNRFMQJRSV-UHFFFAOYSA-N
MW316.39 g/mol
LogP5.46
Rot. Bonds3

About 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol

6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 142035383) has the molecular formula C20H22F2O and a molecular weight of 316.39 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID142035383
Molecular FormulaC20H22F2O
Molecular Weight316.39 g/mol
Exact Mass316.16
IUPAC Name6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC(C)c1ccc(C2CCc3c(cc(F)c(O)c3F)C2)cc1
InChIInChI=1S/C20H22F2O/c1-3-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(21)20(23)19(17)22/h4-7,11-12,15,23H,3,8-10H2,1-2H3
InChIKeyLXNRMNRFMQJRSV-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol (CID 142035383) is 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol is CCC(C)c1ccc(C2CCc3c(cc(F)c(O)c3F)C2)cc1.
What is the InChIKey of 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is LXNRMNRFMQJRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2O/c1-3-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(21)20(23)19(17)22/h4-7,11-12,15,23H,3,8-10H2,1-2H3.
What are the key properties of 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol?
6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 316.39 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 142035383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).