(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol

C16H15BrO2 — CID 104542859

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H15BrO2/c1-10-4-2-3-5-13(10)15(18)14-9-12(17)8-11-6-7-19-16(11)14/h2-5,8-9,15,18H,6-7H2,1H3
InChIKeyNRLVNBCOKFCXDE-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.77
Rot. Bonds2

About (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol (PubChem CID 104542859) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol
PubChem CID104542859
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H15BrO2/c1-10-4-2-3-5-13(10)15(18)14-9-12(17)8-11-6-7-19-16(11)14/h2-5,8-9,15,18H,6-7H2,1H3
InChIKeyNRLVNBCOKFCXDE-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylsulfanylphenyl)methanol
CID 104542861
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol
CID 104542917
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-ethoxyphenyl)methanol
CID 104542962
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
5-bromo-7-[chloro-(2-chloro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543417
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-ethylfuran-2-yl)methanol
CID 104542868
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol (CID 104542859) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol is Cc1ccccc1C(O)c1cc(Br)cc2c1OCC2.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol?
The InChIKey is NRLVNBCOKFCXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-10-4-2-3-5-13(10)15(18)14-9-12(17)8-11-6-7-19-16(11)14/h2-5,8-9,15,18H,6-7H2,1H3.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol has a molecular weight of 319.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol is sourced from PubChem (CID 104542859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).