(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol

C17H20O2 — CID 115838981

IUPAC(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCc1cc(C(O)c2cccc(C3CCC3)c2)c(C)o1
InChIInChI=1S/C17H20O2/c1-11-9-16(12(2)19-11)17(18)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-10,13,17-18H,3,5-6H2,1-2H3
InChIKeyDVBCQDGZQCGDJD-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.25
Rot. Bonds3

About (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol

(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol (PubChem CID 115838981) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
PubChem CID115838981
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCc1cc(C(O)c2cccc(C3CCC3)c2)c(C)o1
InChIInChI=1S/C17H20O2/c1-11-9-16(12(2)19-11)17(18)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-10,13,17-18H,3,5-6H2,1-2H3
InChIKeyDVBCQDGZQCGDJD-UHFFFAOYSA-N
XLogP4.25
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(2-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838610
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 114601558
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512296
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol
CID 115839083
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol (CID 115838981) is (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol is Cc1cc(C(O)c2cccc(C3CCC3)c2)c(C)o1.
What is the InChIKey of (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol?
The InChIKey is DVBCQDGZQCGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-11-9-16(12(2)19-11)17(18)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-10,13,17-18H,3,5-6H2,1-2H3.
What are the key properties of (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol?
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol has a molecular weight of 256.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol is sourced from PubChem (CID 115838981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).