[(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol

C15H13BrO2 — CID 129395049

IUPAC[(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOC[C@@H]1Cc2cc(-c3ccccc3)cc(Br)c2O1
InChIInChI=1S/C15H13BrO2/c16-14-8-11(10-4-2-1-3-5-10)6-12-7-13(9-17)18-15(12)14/h1-6,8,13,17H,7,9H2/t13-/m0/s1
InChIKeyIWJQSWKVFQFSNL-ZDUSSCGKSA-N
MW305.17 g/mol
LogP3.41
Rot. Bonds2

About [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol

[(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 129395049) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID129395049
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name[(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOC[C@@H]1Cc2cc(-c3ccccc3)cc(Br)c2O1
InChIInChI=1S/C15H13BrO2/c16-14-8-11(10-4-2-1-3-5-10)6-12-7-13(9-17)18-15(12)14/h1-6,8,13,17H,7,9H2/t13-/m0/s1
InChIKeyIWJQSWKVFQFSNL-ZDUSSCGKSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thelepin
CID 635290
4-[(2S,3R)-5-bromo-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
CID 162669768
2,2'-((1-Methylethylidene)bis((2-bromo-4,1-phenylene)oxy))bisethanol
CID 6455161
1,2-Propanediol, 3-(2-bromo-6-propylphenoxy)-
CID 113927
1,2-Propanediol, 3-(2-allyl-6-bromophenoxy)-
CID 3048388
7-Bromo-5-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 65719557
(7-Bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
(6-Bromo-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 84043093
(2S,3S)-5-bromo-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran
CID 71568462
4-[(2S,3S)-5-bromo-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 71568463
2-bromo-4-[(2S,3R)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162668717
(2S,3S)-5-bromo-2-(3-bromo-4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran
CID 162668754

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 129395049) is [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol is OC[C@@H]1Cc2cc(-c3ccccc3)cc(Br)c2O1.
What is the InChIKey of [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is IWJQSWKVFQFSNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13BrO2/c16-14-8-11(10-4-2-1-3-5-10)6-12-7-13(9-17)18-15(12)14/h1-6,8,13,17H,7,9H2/t13-/m0/s1.
What are the key properties of [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol?
[(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 305.17 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-bromo-5-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 129395049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).