(4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol

C28H34FNO2 — CID 90295882

IUPAC(4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol
SMILESCC[C@H]1OC(n2cc(C(O)c3ccc(C4CC4)cc3)c3c(F)cccc32)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C28H34FNO2/c1-5-25-17(3)16(2)18(4)28(32-25)30-15-22(26-23(29)7-6-8-24(26)30)27(31)21-13-11-20(12-14-21)19-9-10-19/h6-8,11-19,25,27-28,31H,5,9-10H2,1-4H3/t16-,17-,18+,25+,27?,28?/m0/s1
InChIKeyBTRSPKXSEQIYGD-AWOZXTTASA-N
MW435.58 g/mol
LogP6.96
Rot. Bonds5

About (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol

(4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol (PubChem CID 90295882) has the molecular formula C28H34FNO2 and a molecular weight of 435.58 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol
PubChem CID90295882
Molecular FormulaC28H34FNO2
Molecular Weight435.58 g/mol
Exact Mass435.26
IUPAC Name(4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol
SMILESCC[C@H]1OC(n2cc(C(O)c3ccc(C4CC4)cc3)c3c(F)cccc32)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C28H34FNO2/c1-5-25-17(3)16(2)18(4)28(32-25)30-15-22(26-23(29)7-6-8-24(26)30)27(31)21-13-11-20(12-14-21)19-9-10-19/h6-8,11-19,25,27-28,31H,5,9-10H2,1-4H3/t16-,17-,18+,25+,27?,28?/m0/s1
InChIKeyBTRSPKXSEQIYGD-AWOZXTTASA-N
XLogP6.96
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.58
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol?
The IUPAC name of (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol (CID 90295882) is (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol.
What is the SMILES notation for (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol?
The canonical SMILES for (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol is CC[C@H]1OC(n2cc(C(O)c3ccc(C4CC4)cc3)c3c(F)cccc32)[C@H](C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol?
The InChIKey is BTRSPKXSEQIYGD-AWOZXTTASA-N. The full InChI is InChI=1S/C28H34FNO2/c1-5-25-17(3)16(2)18(4)28(32-25)30-15-22(26-23(29)7-6-8-24(26)30)27(31)21-13-11-20(12-14-21)19-9-10-19/h6-8,11-19,25,27-28,31H,5,9-10H2,1-4H3/t16-,17-,18+,25+,27?,28?/m0/s1.
What are the key properties of (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol?
(4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol has a molecular weight of 435.58 g/mol, XLogP of 6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-[1-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4-fluoroindol-3-yl]methanol is sourced from PubChem (CID 90295882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).