(4-butylphenyl)-(2-methylfuran-3-yl)methanol

C16H20O2 — CID 61089435

IUPAC(4-butylphenyl)-(2-methylfuran-3-yl)methanol
SMILESCCCCc1ccc(C(O)c2ccoc2C)cc1
InChIInChI=1S/C16H20O2/c1-3-4-5-13-6-8-14(9-7-13)16(17)15-10-11-18-12(15)2/h6-11,16-17H,3-5H2,1-2H3
InChIKeyRBVNITRFXXHQGU-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.01
Rot. Bonds5

About (4-butylphenyl)-(2-methylfuran-3-yl)methanol

(4-butylphenyl)-(2-methylfuran-3-yl)methanol (PubChem CID 61089435) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (4-butylphenyl)-(2-methylfuran-3-yl)methanol.

Molecular Properties

Compound Name(4-butylphenyl)-(2-methylfuran-3-yl)methanol
PubChem CID61089435
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(4-butylphenyl)-(2-methylfuran-3-yl)methanol
SMILESCCCCc1ccc(C(O)c2ccoc2C)cc1
InChIInChI=1S/C16H20O2/c1-3-4-5-13-6-8-14(9-7-13)16(17)15-10-11-18-12(15)2/h6-11,16-17H,3-5H2,1-2H3
InChIKeyRBVNITRFXXHQGU-UHFFFAOYSA-N
XLogP4.01
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-(2,4-dimethylphenyl)methanol
CID 63426615
bis(4-tridecylphenyl)methanol
CID 139673626
(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63426915
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanol
CID 81112230
(4-butylphenyl)-(5-chlorofuran-2-yl)methanol
CID 106688839
[(2-methylfuran-3-yl)-(4-propylphenyl)methyl]hydrazine
CID 105268936
(2-ethylfuran-3-yl)-(4-ethylphenyl)methanol
CID 114103668
(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
CID 63427122
(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
CID 81476235
1-(4-butylphenyl)butan-1-ol
CID 61088483
3-amino-1-(4-butylphenyl)propane-1,2-diol
CID 170828276
1-(4-butylphenyl)-3-chloropropane-1,2-diol
CID 171862284

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(2-methylfuran-3-yl)methanol?
The IUPAC name of (4-butylphenyl)-(2-methylfuran-3-yl)methanol (CID 61089435) is (4-butylphenyl)-(2-methylfuran-3-yl)methanol.
What is the SMILES notation for (4-butylphenyl)-(2-methylfuran-3-yl)methanol?
The canonical SMILES for (4-butylphenyl)-(2-methylfuran-3-yl)methanol is CCCCc1ccc(C(O)c2ccoc2C)cc1.
What is the InChIKey of (4-butylphenyl)-(2-methylfuran-3-yl)methanol?
The InChIKey is RBVNITRFXXHQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-4-5-13-6-8-14(9-7-13)16(17)15-10-11-18-12(15)2/h6-11,16-17H,3-5H2,1-2H3.
What are the key properties of (4-butylphenyl)-(2-methylfuran-3-yl)methanol?
(4-butylphenyl)-(2-methylfuran-3-yl)methanol has a molecular weight of 244.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(2-methylfuran-3-yl)methanol is sourced from PubChem (CID 61089435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).