3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol

C16H13F3O2 — CID 79756720

IUPAC3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc2c(c1)CCCO2)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H13F3O2/c17-12-5-4-11(14(18)15(12)19)16(20)10-3-6-13-9(8-10)2-1-7-21-13/h3-6,8,16,20H,1-2,7H2
InChIKeyHFIHFXUPRZSMLK-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.51
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol

3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol (PubChem CID 79756720) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
PubChem CID79756720
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc2c(c1)CCCO2)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H13F3O2/c17-12-5-4-11(14(18)15(12)19)16(20)10-3-6-13-9(8-10)2-1-7-21-13/h3-6,8,16,20H,1-2,7H2
InChIKeyHFIHFXUPRZSMLK-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465
5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
CID 79755380
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol (CID 79756720) is 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol is OC(c1ccc2c(c1)CCCO2)c1ccc(F)c(F)c1F.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol?
The InChIKey is HFIHFXUPRZSMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-12-5-4-11(14(18)15(12)19)16(20)10-3-6-13-9(8-10)2-1-7-21-13/h3-6,8,16,20H,1-2,7H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol?
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol has a molecular weight of 294.27 g/mol, XLogP of 3.51, 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-6-yl-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 79756720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).