(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol

C16H19BrO2 — CID 66260156

IUPAC(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H19BrO2/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10,15,18H,4H2,1-3H3
InChIKeyQSHFHIKDADXFOA-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.81
Rot. Bonds4

About (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol

(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol (PubChem CID 66260156) has the molecular formula C16H19BrO2 and a molecular weight of 323.23 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
PubChem CID66260156
Molecular FormulaC16H19BrO2
Molecular Weight323.23 g/mol
Exact Mass322.06
IUPAC Name(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H19BrO2/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10,15,18H,4H2,1-3H3
InChIKeyQSHFHIKDADXFOA-UHFFFAOYSA-N
XLogP4.81
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 107964313
(5-bromofuran-2-yl)-(4-methoxyphenyl)methanol
CID 61099698
(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66257836
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
2-bromo-5-[(4-tert-butylphenyl)-chloromethyl]furan
CID 55199084
[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80738896
N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 66260331
(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 81316592
(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66257837
(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 80641514
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The IUPAC name of (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol (CID 66260156) is (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol is CCC(C)(C)c1ccc(C(O)c2ccc(Br)o2)cc1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The InChIKey is QSHFHIKDADXFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO2/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10,15,18H,4H2,1-3H3.
What are the key properties of (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol has a molecular weight of 323.23 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 66260156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).