3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol

C16H13F3O2 — CID 65411549

IUPAC3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1F)C1COc2ccccc2C1
InChIInChI=1S/C16H13F3O2/c17-12-6-5-11(14(18)15(12)19)16(20)10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,16,20H,7-8H2
InChIKeyRLSSQNJQLDEDRL-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.39
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol

3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol (PubChem CID 65411549) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
PubChem CID65411549
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1F)C1COc2ccccc2C1
InChIInChI=1S/C16H13F3O2/c17-12-6-5-11(14(18)15(12)19)16(20)10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,16,20H,7-8H2
InChIKeyRLSSQNJQLDEDRL-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65350657
(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 166045392
2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol
CID 114744588
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881075
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667
5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106947406
3,4-dihydro-2H-chromen-3-yl(pyridin-3-yl)methanol
CID 65412130
oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol (CID 65411549) is 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol is OC(c1ccc(F)c(F)c1F)C1COc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol?
The InChIKey is RLSSQNJQLDEDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-12-6-5-11(14(18)15(12)19)16(20)10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,16,20H,7-8H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol?
3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol has a molecular weight of 294.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 65411549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).