(11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol

C20H29FO3 — CID 144682475

IUPAC(11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol
SMILESCOC12C=C3CC(O)CCC3CC[C@]1(O)C1CC=CC1(C)CC2F
InChIInChI=1S/C20H29FO3/c1-18-8-3-4-16(18)19(23)9-7-13-5-6-15(22)10-14(13)11-20(19,24-2)17(21)12-18/h3,8,11,13,15-17,22-23H,4-7,9-10,12H2,1-2H3/t13?,15?,16?,17?,18?,19-,20?/m0/s1
InChIKeyCAWJMJAGSZMTLD-UOIDUDQZSA-N
MW336.45 g/mol
LogP3.31
Rot. Bonds1

About (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol

(11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol (PubChem CID 144682475) has the molecular formula C20H29FO3 and a molecular weight of 336.45 g/mol. Its IUPAC name is (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol.

Molecular Properties

Compound Name(11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol
PubChem CID144682475
Molecular FormulaC20H29FO3
Molecular Weight336.45 g/mol
Exact Mass336.21
IUPAC Name(11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol
SMILESCOC12C=C3CC(O)CCC3CC[C@]1(O)C1CC=CC1(C)CC2F
InChIInChI=1S/C20H29FO3/c1-18-8-3-4-16(18)19(23)9-7-13-5-6-15(22)10-14(13)11-20(19,24-2)17(21)12-18/h3,8,11,13,15-17,22-23H,4-7,9-10,12H2,1-2H3/t13?,15?,16?,17?,18?,19-,20?/m0/s1
InChIKeyCAWJMJAGSZMTLD-UOIDUDQZSA-N
XLogP3.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol?
The IUPAC name of (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol (CID 144682475) is (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol.
What is the SMILES notation for (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol?
The canonical SMILES for (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol is COC12C=C3CC(O)CCC3CC[C@]1(O)C1CC=CC1(C)CC2F.
What is the InChIKey of (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol?
The InChIKey is CAWJMJAGSZMTLD-UOIDUDQZSA-N. The full InChI is InChI=1S/C20H29FO3/c1-18-8-3-4-16(18)19(23)9-7-13-5-6-15(22)10-14(13)11-20(19,24-2)17(21)12-18/h3,8,11,13,15-17,22-23H,4-7,9-10,12H2,1-2H3/t13?,15?,16?,17?,18?,19-,20?/m0/s1.
What are the key properties of (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol?
(11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol has a molecular weight of 336.45 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-18-fluoro-1-methoxy-16-methyltetracyclo[9.7.0.03,8.012,16]octadeca-2,14-diene-5,11-diol is sourced from PubChem (CID 144682475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).