2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol

C28H34FNO2 — CID 10836644

IUPAC2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol
SMILESCCCCC1(CCCC)CCc2c(OCc3ccc4ccccc4n3)ccc(F)c2C1O
InChIInChI=1S/C28H34FNO2/c1-3-5-16-28(17-6-4-2)18-15-22-25(14-13-23(29)26(22)27(28)31)32-19-21-12-11-20-9-7-8-10-24(20)30-21/h7-14,27,31H,3-6,15-19H2,1-2H3
InChIKeyWTTNMDOMFFIVAB-UHFFFAOYSA-N
MW435.58 g/mol
LogP7.30
Rot. Bonds9

About 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol

2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol (PubChem CID 10836644) has the molecular formula C28H34FNO2 and a molecular weight of 435.58 g/mol. Its IUPAC name is 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol
PubChem CID10836644
Molecular FormulaC28H34FNO2
Molecular Weight435.58 g/mol
Exact Mass435.26
IUPAC Name2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol
SMILESCCCCC1(CCCC)CCc2c(OCc3ccc4ccccc4n3)ccc(F)c2C1O
InChIInChI=1S/C28H34FNO2/c1-3-5-16-28(17-6-4-2)18-15-22-25(14-13-23(29)26(22)27(28)31)32-19-21-12-11-20-9-7-8-10-24(20)30-21/h7-14,27,31H,3-6,15-19H2,1-2H3
InChIKeyWTTNMDOMFFIVAB-UHFFFAOYSA-N
XLogP7.30
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.58
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol?
The IUPAC name of 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol (CID 10836644) is 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol.
What is the SMILES notation for 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol?
The canonical SMILES for 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol is CCCCC1(CCCC)CCc2c(OCc3ccc4ccccc4n3)ccc(F)c2C1O.
What is the InChIKey of 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol?
The InChIKey is WTTNMDOMFFIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FNO2/c1-3-5-16-28(17-6-4-2)18-15-22-25(14-13-23(29)26(22)27(28)31)32-19-21-12-11-20-9-7-8-10-24(20)30-21/h7-14,27,31H,3-6,15-19H2,1-2H3.
What are the key properties of 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol?
2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol has a molecular weight of 435.58 g/mol, XLogP of 7.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol is sourced from PubChem (CID 10836644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).