(3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene

C20H15F3O2 — CID 130392127

IUPAC(3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene
SMILESCOc1ccc2ccc3c(c2c1)CC[C@@H](c1cc(F)c(F)cc1F)O3
InChIInChI=1S/C20H15F3O2/c1-24-12-4-2-11-3-6-19-13(14(11)8-12)5-7-20(25-19)15-9-17(22)18(23)10-16(15)21/h2-4,6,8-10,20H,5,7H2,1H3/t20-/m0/s1
InChIKeyLGEUGOXBJIHSDG-FQEVSTJZSA-N
MW344.33 g/mol
LogP5.33
Rot. Bonds2

About (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene

(3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene (PubChem CID 130392127) has the molecular formula C20H15F3O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene.

Molecular Properties

Compound Name(3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene
PubChem CID130392127
Molecular FormulaC20H15F3O2
Molecular Weight344.33 g/mol
Exact Mass344.10
IUPAC Name(3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene
SMILESCOc1ccc2ccc3c(c2c1)CC[C@@H](c1cc(F)c(F)cc1F)O3
InChIInChI=1S/C20H15F3O2/c1-24-12-4-2-11-3-6-19-13(14(11)8-12)5-7-20(25-19)15-9-17(22)18(23)10-16(15)21/h2-4,6,8-10,20H,5,7H2,1H3/t20-/m0/s1
InChIKeyLGEUGOXBJIHSDG-FQEVSTJZSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene 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

(3S)-8,9-dimethoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene
CID 130392084
9-bromo-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene;methanamine
CID 145071217
9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile
CID 166887958
3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391958
3-[(2Z,4Z)-5-chlorohepta-2,4-dien-4-yl]-9-methoxy-2,3-dihydro-1H-benzo[f]chromene
CID 145071157
3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 166887924
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene-7-carbonitrile
CID 175391763
(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one
CID 139067197
2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
CID 25232840
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
(4R)-2-(2,6-difluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947106

Frequently Asked Questions

What is the IUPAC name of (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene?
The IUPAC name of (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene (CID 130392127) is (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene.
What is the SMILES notation for (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene?
The canonical SMILES for (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene is COc1ccc2ccc3c(c2c1)CC[C@@H](c1cc(F)c(F)cc1F)O3.
What is the InChIKey of (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene?
The InChIKey is LGEUGOXBJIHSDG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15F3O2/c1-24-12-4-2-11-3-6-19-13(14(11)8-12)5-7-20(25-19)15-9-17(22)18(23)10-16(15)21/h2-4,6,8-10,20H,5,7H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene?
(3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene has a molecular weight of 344.33 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene is sourced from PubChem (CID 130392127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).