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

C16H14Br2O2 — CID 107955593

IUPAC(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOC(c1ccc2c(c1)CCCO2)c1ccc(Br)cc1Br
InChIInChI=1S/C16H14Br2O2/c17-12-4-5-13(14(18)9-12)16(19)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16,19H,1-2,7H2
InChIKeyQQSXUMJVTJVXBP-UHFFFAOYSA-N
MW398.09 g/mol
LogP4.62
Rot. Bonds2

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

(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol (PubChem CID 107955593) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
PubChem CID107955593
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOC(c1ccc2c(c1)CCCO2)c1ccc(Br)cc1Br
InChIInChI=1S/C16H14Br2O2/c17-12-4-5-13(14(18)9-12)16(19)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16,19H,1-2,7H2
InChIKeyQQSXUMJVTJVXBP-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 137498556
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027758
(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026459
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
[(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 107948484
(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027221
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The IUPAC name of (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol (CID 107955593) is (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol.
What is the SMILES notation for (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The canonical SMILES for (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol is OC(c1ccc2c(c1)CCCO2)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The InChIKey is QQSXUMJVTJVXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c17-12-4-5-13(14(18)9-12)16(19)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16,19H,1-2,7H2.
What are the key properties of (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol has a molecular weight of 398.09 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol is sourced from PubChem (CID 107955593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).