1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol

C20H23FO — CID 23597668

IUPAC1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol
SMILESCCC(O)CC1c2ccccc2Cc2ccc(F)cc2C1C
InChIInChI=1S/C20H23FO/c1-3-17(22)12-20-13(2)19-11-16(21)9-8-15(19)10-14-6-4-5-7-18(14)20/h4-9,11,13,17,20,22H,3,10,12H2,1-2H3
InChIKeyDHCUYLZYAGKLGH-UHFFFAOYSA-N
MW298.40 g/mol
LogP4.78
Rot. Bonds3

About 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol

1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol (PubChem CID 23597668) has the molecular formula C20H23FO and a molecular weight of 298.40 g/mol. Its IUPAC name is 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol.

Molecular Properties

Compound Name1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol
PubChem CID23597668
Molecular FormulaC20H23FO
Molecular Weight298.40 g/mol
Exact Mass298.17
IUPAC Name1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol
SMILESCCC(O)CC1c2ccccc2Cc2ccc(F)cc2C1C
InChIInChI=1S/C20H23FO/c1-3-17(22)12-20-13(2)19-11-16(21)9-8-15(19)10-14-6-4-5-7-18(14)20/h4-9,11,13,17,20,22H,3,10,12H2,1-2H3
InChIKeyDHCUYLZYAGKLGH-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol with MolForge

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Related Compounds

(2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol
CID 158021896
(2S)-1-[(9R,10R)-10-azido-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol
CID 160679533
2-[(9R,10R)-10-azido-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]acetaldehyde
CID 140531747
[10-(3-aminopropyl)-6-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl] acetate
CID 143335863
(2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 59636100
[(2S,4S,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methanol
CID 10125435
[(2S,4S,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methanol
CID 101166384
[(2R)-1-azido-3-[(9R,10R)-10-azido-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]propan-2-yl] methanesulfonate
CID 140531744
[(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol
CID 59465324
1-[2-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methylamino]ethylamino]propan-2-ol
CID 143330612
(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene
CID 142248840
1-[(9-fluoro-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaenyl)methyl]-4-methylpiperidine
CID 59799474

Frequently Asked Questions

What is the IUPAC name of 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol?
The IUPAC name of 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol (CID 23597668) is 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol.
What is the SMILES notation for 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol?
The canonical SMILES for 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol is CCC(O)CC1c2ccccc2Cc2ccc(F)cc2C1C.
What is the InChIKey of 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol?
The InChIKey is DHCUYLZYAGKLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO/c1-3-17(22)12-20-13(2)19-11-16(21)9-8-15(19)10-14-6-4-5-7-18(14)20/h4-9,11,13,17,20,22H,3,10,12H2,1-2H3.
What are the key properties of 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol?
1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol has a molecular weight of 298.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-ol is sourced from PubChem (CID 23597668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).