(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol

C14H14Br2O3 — CID 104658570

IUPAC(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1cc(Br)c(Br)o1
InChIInChI=1S/C14H14Br2O3/c1-2-7-18-11-6-4-3-5-9(11)13(17)12-8-10(15)14(16)19-12/h3-6,8,13,17H,2,7H2,1H3
InChIKeySUGRECXMQZUHJH-UHFFFAOYSA-N
MW390.07 g/mol
LogP4.68
Rot. Bonds5

About (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol

(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol (PubChem CID 104658570) has the molecular formula C14H14Br2O3 and a molecular weight of 390.07 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol
PubChem CID104658570
Molecular FormulaC14H14Br2O3
Molecular Weight390.07 g/mol
Exact Mass387.93
IUPAC Name(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1cc(Br)c(Br)o1
InChIInChI=1S/C14H14Br2O3/c1-2-7-18-11-6-4-3-5-9(11)13(17)12-8-10(15)14(16)19-12/h3-6,8,13,17H,2,7H2,1H3
InChIKeySUGRECXMQZUHJH-UHFFFAOYSA-N
XLogP4.68
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.07
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104659620
1-(2-propoxyphenyl)ethanol
CID 43503976
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809674
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005
(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105125917
(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 106693712
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol?
The IUPAC name of (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol (CID 104658570) is (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1cc(Br)c(Br)o1.
What is the InChIKey of (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol?
The InChIKey is SUGRECXMQZUHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O3/c1-2-7-18-11-6-4-3-5-9(11)13(17)12-8-10(15)14(16)19-12/h3-6,8,13,17H,2,7H2,1H3.
What are the key properties of (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol?
(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol has a molecular weight of 390.07 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 104658570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).