2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol

C18H17FO — CID 143151859

IUPAC2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol
SMILESC=C1c2ccc(F)cc2C[C@H](CCO)c2ccccc21
InChIInChI=1S/C18H17FO/c1-12-16-7-6-15(19)11-14(16)10-13(8-9-20)18-5-3-2-4-17(12)18/h2-7,11,13,20H,1,8-10H2/t13-/m0/s1
InChIKeyOEWJTZUFRCHCNB-ZDUSSCGKSA-N
MW268.33 g/mol
LogP3.91
Rot. Bonds2

About 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol

2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol (PubChem CID 143151859) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol.

Molecular Properties

Compound Name2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol
PubChem CID143151859
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol
SMILESC=C1c2ccc(F)cc2C[C@H](CCO)c2ccccc21
InChIInChI=1S/C18H17FO/c1-12-16-7-6-15(19)11-14(16)10-13(8-9-20)18-5-3-2-4-17(12)18/h2-7,11,13,20H,1,8-10H2/t13-/m0/s1
InChIKeyOEWJTZUFRCHCNB-ZDUSSCGKSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 143151829
2-(13-fluoro-2-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)ethanol;methyl 4-methylbenzenesulfinate
CID 143151846
2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol;methyl 4-methylbenzenesulfinate
CID 143151836
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
2-(6-fluoro-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82075944
N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine
CID 143335823
(2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
CID 91580718
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
CID 165410508
2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
CID 105449024

Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol?
The IUPAC name of 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol (CID 143151859) is 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol.
What is the SMILES notation for 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol?
The canonical SMILES for 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol is C=C1c2ccc(F)cc2C[C@H](CCO)c2ccccc21.
What is the InChIKey of 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol?
The InChIKey is OEWJTZUFRCHCNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FO/c1-12-16-7-6-15(19)11-14(16)10-13(8-9-20)18-5-3-2-4-17(12)18/h2-7,11,13,20H,1,8-10H2/t13-/m0/s1.
What are the key properties of 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol?
2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol has a molecular weight of 268.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-13-fluoro-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol is sourced from PubChem (CID 143151859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).