2-decyl-1-benzofuran

C18H26O — CID 15365265

IUPAC2-decyl-1-benzofuran
SMILESCCCCCCCCCCc1cc2ccccc2o1
InChIInChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19-17/h10-12,14-15H,2-9,13H2,1H3
InChIKeyQRMSIUCYCBZZLH-UHFFFAOYSA-N
MW258.40 g/mol
LogP6.12
Rot. Bonds9

About 2-decyl-1-benzofuran

2-decyl-1-benzofuran (PubChem CID 15365265) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-decyl-1-benzofuran.

Molecular Properties

Compound Name2-decyl-1-benzofuran
PubChem CID15365265
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2-decyl-1-benzofuran
SMILESCCCCCCCCCCc1cc2ccccc2o1
InChIInChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19-17/h10-12,14-15H,2-9,13H2,1H3
InChIKeyQRMSIUCYCBZZLH-UHFFFAOYSA-N
XLogP6.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-heptylchromene-4-thione
CID 154713564
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-(2-decyl-1-benzofuran-5-yl)phenol
CID 102136549
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine
CID 170864315
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
CID 156725408
CID 156725408
2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium
CID 73294129
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
2-(7-hydroxypentadecyl)chromen-4-one
CID 175037169
4-(1-benzofuran-2-yl)-1-(4-butylpiperidin-1-yl)butan-1-one
CID 69451352
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1-benzofuran?
The IUPAC name of 2-decyl-1-benzofuran (CID 15365265) is 2-decyl-1-benzofuran.
What is the SMILES notation for 2-decyl-1-benzofuran?
The canonical SMILES for 2-decyl-1-benzofuran is CCCCCCCCCCc1cc2ccccc2o1.
What is the InChIKey of 2-decyl-1-benzofuran?
The InChIKey is QRMSIUCYCBZZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19-17/h10-12,14-15H,2-9,13H2,1H3.
What are the key properties of 2-decyl-1-benzofuran?
2-decyl-1-benzofuran has a molecular weight of 258.40 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-benzofuran is sourced from PubChem (CID 15365265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).