8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol

C24H28FNO2 — CID 90678643

IUPAC8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
SMILESCC(CCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1
InChIInChI=1S/C24H28FNO2/c1-15(4-5-16-6-8-18(25)9-7-16)17-12-21(27)23-19-14-26-11-10-20(19)24(2,3)28-22(23)13-17/h6-9,12-13,15,26-27H,4-5,10-11,14H2,1-3H3
InChIKeyVJBLRORTAFRNOW-UHFFFAOYSA-N
MW381.49 g/mol
LogP5.19
Rot. Bonds4

About 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol

8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol (PubChem CID 90678643) has the molecular formula C24H28FNO2 and a molecular weight of 381.49 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
PubChem CID90678643
Molecular FormulaC24H28FNO2
Molecular Weight381.49 g/mol
Exact Mass381.21
IUPAC Name8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
SMILESCC(CCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1
InChIInChI=1S/C24H28FNO2/c1-15(4-5-16-6-8-18(25)9-7-16)17-12-21(27)23-19-14-26-11-10-20(19)24(2,3)28-22(23)13-17/h6-9,12-13,15,26-27H,4-5,10-11,14H2,1-3H3
InChIKeyVJBLRORTAFRNOW-UHFFFAOYSA-N
XLogP5.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol?
The IUPAC name of 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol (CID 90678643) is 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol.
What is the SMILES notation for 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol?
The canonical SMILES for 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol is CC(CCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1.
What is the InChIKey of 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol?
The InChIKey is VJBLRORTAFRNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO2/c1-15(4-5-16-6-8-18(25)9-7-16)17-12-21(27)23-19-14-26-11-10-20(19)24(2,3)28-22(23)13-17/h6-9,12-13,15,26-27H,4-5,10-11,14H2,1-3H3.
What are the key properties of 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol?
8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol has a molecular weight of 381.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol is sourced from PubChem (CID 90678643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).