4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol

C20H22O2 — CID 23445648

IUPAC4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
SMILESCCCCc1oc2ccccc2c1CCc1ccc(O)cc1
InChIInChI=1S/C20H22O2/c1-2-3-7-19-18(17-6-4-5-8-20(17)22-19)14-11-15-9-12-16(21)13-10-15/h4-6,8-10,12-13,21H,2-3,7,11,14H2,1H3
InChIKeyVNYOMRHOUYFLJO-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.27
Rot. Bonds6

About 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol

4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol (PubChem CID 23445648) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
PubChem CID23445648
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
SMILESCCCCc1oc2ccccc2c1CCc1ccc(O)cc1
InChIInChI=1S/C20H22O2/c1-2-3-7-19-18(17-6-4-5-8-20(17)22-19)14-11-15-9-12-16(21)13-10-15/h4-6,8-10,12-13,21H,2-3,7,11,14H2,1H3
InChIKeyVNYOMRHOUYFLJO-UHFFFAOYSA-N
XLogP5.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
3-benzyl-2-pentyl-1-benzofuran
CID 101375097
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63001648
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
4-butylphenol;tungsten
CID 174758928
3-(methoxymethyl)-2-propyl-1-benzofuran
CID 101375007
4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 60594549
4-butylphenol;phenol;4-propylphenol
CID 157420199
3-[(2-butyl-1-benzofuran-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731518

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol?
The IUPAC name of 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol (CID 23445648) is 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol is CCCCc1oc2ccccc2c1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol?
The InChIKey is VNYOMRHOUYFLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-3-7-19-18(17-6-4-5-8-20(17)22-19)14-11-15-9-12-16(21)13-10-15/h4-6,8-10,12-13,21H,2-3,7,11,14H2,1H3.
What are the key properties of 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol?
4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol has a molecular weight of 294.39 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol is sourced from PubChem (CID 23445648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).