(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol

C15H16BrClO4 — CID 106855351

IUPAC(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol
SMILESCCOc1cc(Cl)c(C(O)c2ccoc2Br)cc1OCC
InChIInChI=1S/C15H16BrClO4/c1-3-19-12-7-10(11(17)8-13(12)20-4-2)14(18)9-5-6-21-15(9)16/h5-8,14,18H,3-4H2,1-2H3
InChIKeyWWWVHXWBUDKFNG-UHFFFAOYSA-N
MW375.65 g/mol
LogP4.57
Rot. Bonds6

About (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol

(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol (PubChem CID 106855351) has the molecular formula C15H16BrClO4 and a molecular weight of 375.65 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol
PubChem CID106855351
Molecular FormulaC15H16BrClO4
Molecular Weight375.65 g/mol
Exact Mass373.99
IUPAC Name(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol
SMILESCCOc1cc(Cl)c(C(O)c2ccoc2Br)cc1OCC
InChIInChI=1S/C15H16BrClO4/c1-3-19-12-7-10(11(17)8-13(12)20-4-2)14(18)9-5-6-21-15(9)16/h5-8,14,18H,3-4H2,1-2H3
InChIKeyWWWVHXWBUDKFNG-UHFFFAOYSA-N
XLogP4.57
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
CID 106851517
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol
CID 114822297
(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644143
2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan
CID 106855701
(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644142
(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 63941239
1-(2-bromofuran-3-yl)-2-methoxyethanol
CID 106859379
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106855316
(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
CID 115484595

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol (CID 106855351) is (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol is CCOc1cc(Cl)c(C(O)c2ccoc2Br)cc1OCC.
What is the InChIKey of (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol?
The InChIKey is WWWVHXWBUDKFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClO4/c1-3-19-12-7-10(11(17)8-13(12)20-4-2)14(18)9-5-6-21-15(9)16/h5-8,14,18H,3-4H2,1-2H3.
What are the key properties of (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol?
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol has a molecular weight of 375.65 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol is sourced from PubChem (CID 106855351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).