7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran

C27H24O2 — CID 90291088

IUPAC7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran
SMILESC=Cc1oc(CCCC)cc1-c1ccc2c(ccc3c4ccoc4ccc23)c1C
InChIInChI=1S/C27H24O2/c1-4-6-7-18-16-25(26(5-2)29-18)20-9-10-21-19(17(20)3)8-11-23-22(21)12-13-27-24(23)14-15-28-27/h5,8-16H,2,4,6-7H2,1,3H3
InChIKeyPSTBSTGBRSGERW-UHFFFAOYSA-N
MW380.49 g/mol
LogP8.29
Rot. Bonds5

About 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran

7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran (PubChem CID 90291088) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran.

Molecular Properties

Compound Name7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran
PubChem CID90291088
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran
SMILESC=Cc1oc(CCCC)cc1-c1ccc2c(ccc3c4ccoc4ccc23)c1C
InChIInChI=1S/C27H24O2/c1-4-6-7-18-16-25(26(5-2)29-18)20-9-10-21-19(17(20)3)8-11-23-22(21)12-13-27-24(23)14-15-28-27/h5,8-16H,2,4,6-7H2,1,3H3
InChIKeyPSTBSTGBRSGERW-UHFFFAOYSA-N
XLogP8.29
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Tanshinone I
CID 114917
Cra 13
CID 9799417
6-Methoxy-2-naphthaldehyde
CID 76991
Benzo(b)naphtho(2,3-d)furan
CID 71072
Dibenzofuran, 4-methyl-
CID 43489
4,7-Dimethylbenzofuran
CID 33109
(2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 9928332
4'-(2-Butyl-benzofuran-3-yl)-biphenyl-4-ol
CID 10854796
(2-Benzofuran-6-yl-ethyl)-((S)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 44313303
2-(4-Methoxyphenyl)benzo[h]chromen-4-one
CID 97548
3-(Furan-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 270482
4H-Naphtho(2,3-b)pyran-4-one, 2-phenyl-
CID 623342

Frequently Asked Questions

What is the IUPAC name of 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran?
The IUPAC name of 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran (CID 90291088) is 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran.
What is the SMILES notation for 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran?
The canonical SMILES for 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran is C=Cc1oc(CCCC)cc1-c1ccc2c(ccc3c4ccoc4ccc23)c1C.
What is the InChIKey of 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran?
The InChIKey is PSTBSTGBRSGERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-4-6-7-18-16-25(26(5-2)29-18)20-9-10-21-19(17(20)3)8-11-23-22(21)12-13-27-24(23)14-15-28-27/h5,8-16H,2,4,6-7H2,1,3H3.
What are the key properties of 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran?
7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran has a molecular weight of 380.49 g/mol, XLogP of 8.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-butyl-2-ethenylfuran-3-yl)-6-methylnaphtho[2,1-e][1]benzofuran is sourced from PubChem (CID 90291088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).