(3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol

C12H13BrO2 — CID 102650836

IUPAC(3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol
SMILESCc1ccc(C(O)C2=CCCO2)cc1Br
InChIInChI=1S/C12H13BrO2/c1-8-4-5-9(7-10(8)13)12(14)11-3-2-6-15-11/h3-5,7,12,14H,2,6H2,1H3
InChIKeyIEZAKDZSFMUYPU-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.10
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol

(3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol (PubChem CID 102650836) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol
PubChem CID102650836
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name(3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol
SMILESCc1ccc(C(O)C2=CCCO2)cc1Br
InChIInChI=1S/C12H13BrO2/c1-8-4-5-9(7-10(8)13)12(14)11-3-2-6-15-11/h3-5,7,12,14H,2,6H2,1H3
InChIKeyIEZAKDZSFMUYPU-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanol
CID 102653924
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
2,3-dihydrofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 102650763
2,3-dihydrofuran-5-yl-(4-fluorophenyl)methanol
CID 102650533
2,3-dihydrofuran-5-yl(phenyl)methanol
CID 102650514
2,3-dihydrofuran-5-yl-(4-fluoro-3-methoxyphenyl)methanol
CID 102653825
2,3-dihydrofuran-5-yl-(3-fluoro-5-methylphenyl)methanol
CID 102653797
2,3-dihydrofuran-5-yl-(4-phenylphenyl)methanol
CID 102650545
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(3-bromofuran-2-yl)-(2,3-dihydrofuran-5-yl)methanol
CID 130174038
(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
CID 81476235
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol (CID 102650836) is (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol is Cc1ccc(C(O)C2=CCCO2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol?
The InChIKey is IEZAKDZSFMUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-8-4-5-9(7-10(8)13)12(14)11-3-2-6-15-11/h3-5,7,12,14H,2,6H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol?
(3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol has a molecular weight of 269.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol is sourced from PubChem (CID 102650836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).