(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol

C16H19BrO2 — CID 106855316

IUPAC(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2ccoc2Br)c(C)c1C
InChIInChI=1S/C16H19BrO2/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)13-6-7-19-16(13)17/h6-7,15,18H,1-5H3
InChIKeyMWGIOZYKBBACJB-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.67
Rot. Bonds2

About (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol

(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 106855316) has the molecular formula C16H19BrO2 and a molecular weight of 323.23 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID106855316
Molecular FormulaC16H19BrO2
Molecular Weight323.23 g/mol
Exact Mass322.06
IUPAC Name(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2ccoc2Br)c(C)c1C
InChIInChI=1S/C16H19BrO2/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)13-6-7-19-16(13)17/h6-7,15,18H,1-5H3
InChIKeyMWGIOZYKBBACJB-UHFFFAOYSA-N
XLogP4.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(4-methyl-3-pyridinyl)methanol
CID 106859365
1-(2-bromofuran-3-yl)-2-methylpropan-1-ol
CID 106859599
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 106859200
(2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426267
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
furan-2-yl-(2,3,4,5,6-pentamethylphenyl)methanol
CID 61099242
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480
1-(2-bromofuran-3-yl)-2-methoxyethanol
CID 106859379
(2,4-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955363
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
(4-benzylphenyl)-(2-bromofuran-3-yl)methanol
CID 106855403
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol (CID 106855316) is (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol is Cc1c(C)c(C)c(C(O)c2ccoc2Br)c(C)c1C.
What is the InChIKey of (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is MWGIOZYKBBACJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO2/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)13-6-7-19-16(13)17/h6-7,15,18H,1-5H3.
What are the key properties of (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 323.23 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 106855316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).