3-(2-decyl-1-benzofuran-5-yl)phenol

C24H30O2 — CID 102136549

IUPAC3-(2-decyl-1-benzofuran-5-yl)phenol
SMILESCCCCCCCCCCc1cc2cc(-c3cccc(O)c3)ccc2o1
InChIInChI=1S/C24H30O2/c1-2-3-4-5-6-7-8-9-13-23-18-21-16-20(14-15-24(21)26-23)19-11-10-12-22(25)17-19/h10-12,14-18,25H,2-9,13H2,1H3
InChIKeyYXKGOVBBFSGXDD-UHFFFAOYSA-N
MW350.50 g/mol
LogP7.49
Rot. Bonds10

About 3-(2-decyl-1-benzofuran-5-yl)phenol

3-(2-decyl-1-benzofuran-5-yl)phenol (PubChem CID 102136549) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 3-(2-decyl-1-benzofuran-5-yl)phenol.

Molecular Properties

Compound Name3-(2-decyl-1-benzofuran-5-yl)phenol
PubChem CID102136549
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name3-(2-decyl-1-benzofuran-5-yl)phenol
SMILESCCCCCCCCCCc1cc2cc(-c3cccc(O)c3)ccc2o1
InChIInChI=1S/C24H30O2/c1-2-3-4-5-6-7-8-9-13-23-18-21-16-20(14-15-24(21)26-23)19-11-10-12-22(25)17-19/h10-12,14-18,25H,2-9,13H2,1H3
InChIKeyYXKGOVBBFSGXDD-UHFFFAOYSA-N
XLogP7.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-decyl-1-benzofuran
CID 15365265
6,18-di(nonyl)-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411060
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
2-butyl-1-benzofuran-5-carboxylic acid
CID 71574140
6-hexyl-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene
CID 58410855
7,16-dipentyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651498
2-butyl-5-nitroso-1-benzofuran
CID 91555766
2-butyl-1-benzofuran-5-carbonitrile
CID 69361525
benzene-1,3-diol;4-dodecylphenol
CID 159325714
benzene-1,3-diol;4-nonylphenol
CID 159380657
3-(4-hydroxyphenyl)phenol;propane
CID 175032185

Frequently Asked Questions

What is the IUPAC name of 3-(2-decyl-1-benzofuran-5-yl)phenol?
The IUPAC name of 3-(2-decyl-1-benzofuran-5-yl)phenol (CID 102136549) is 3-(2-decyl-1-benzofuran-5-yl)phenol.
What is the SMILES notation for 3-(2-decyl-1-benzofuran-5-yl)phenol?
The canonical SMILES for 3-(2-decyl-1-benzofuran-5-yl)phenol is CCCCCCCCCCc1cc2cc(-c3cccc(O)c3)ccc2o1.
What is the InChIKey of 3-(2-decyl-1-benzofuran-5-yl)phenol?
The InChIKey is YXKGOVBBFSGXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-2-3-4-5-6-7-8-9-13-23-18-21-16-20(14-15-24(21)26-23)19-11-10-12-22(25)17-19/h10-12,14-18,25H,2-9,13H2,1H3.
What are the key properties of 3-(2-decyl-1-benzofuran-5-yl)phenol?
3-(2-decyl-1-benzofuran-5-yl)phenol has a molecular weight of 350.50 g/mol, XLogP of 7.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-decyl-1-benzofuran-5-yl)phenol is sourced from PubChem (CID 102136549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).