(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol

C16H14BrFO2 — CID 61080782

IUPAC(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H14BrFO2/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16,19H,1-2,5H2
InChIKeyGVLPLHHAITUBQG-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.99
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol

(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol (PubChem CID 61080782) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
PubChem CID61080782
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H14BrFO2/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16,19H,1-2,5H2
InChIKeyGVLPLHHAITUBQG-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430473
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
CID 79684302
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107947446

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol (CID 61080782) is (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol is OC(c1cc(F)cc(Br)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The InChIKey is GVLPLHHAITUBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16,19H,1-2,5H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol has a molecular weight of 337.19 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol is sourced from PubChem (CID 61080782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).