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

C10H11BrO3 — CID 131059220

IUPAC(5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol
SMILESCc1oc(Br)cc1C(O)C1=COCC1
InChIInChI=1S/C10H11BrO3/c1-6-8(4-9(11)14-6)10(12)7-2-3-13-5-7/h4-5,10,12H,2-3H2,1H3
InChIKeyZWPHJFNEJUXPKU-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.69
Rot. Bonds2

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

(5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol (PubChem CID 131059220) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol
PubChem CID131059220
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name(5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol
SMILESCc1oc(Br)cc1C(O)C1=COCC1
InChIInChI=1S/C10H11BrO3/c1-6-8(4-9(11)14-6)10(12)7-2-3-13-5-7/h4-5,10,12H,2-3H2,1H3
InChIKeyZWPHJFNEJUXPKU-UHFFFAOYSA-N
XLogP2.69
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol
CID 131124490
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 115831444
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 106859492
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 115831581
1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine
CID 131002355
1-(3,4-dihydro-2H-pyran-5-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105033185
3,4-dihydro-2H-pyran-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105124479
1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol
CID 130580033
1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-amine
CID 130579424
(5-chlorofuran-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 106693982
3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol
CID 105124451
3,4-dihydro-2H-pyran-5-yl(quinoxalin-5-yl)methanol
CID 105124475

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol?
The IUPAC name of (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol (CID 131059220) is (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol?
The canonical SMILES for (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol is Cc1oc(Br)cc1C(O)C1=COCC1.
What is the InChIKey of (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol?
The InChIKey is ZWPHJFNEJUXPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6-8(4-9(11)14-6)10(12)7-2-3-13-5-7/h4-5,10,12H,2-3H2,1H3.
What are the key properties of (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol?
(5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol has a molecular weight of 259.10 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol is sourced from PubChem (CID 131059220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).