4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran

C26H22O — CID 161473617

IUPAC4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran
SMILESCCCc1c2ccccc2cc2c1oc1c(Cc3ccccc3)cccc12
InChIInChI=1S/C26H22O/c1-2-9-22-21-14-7-6-12-19(21)17-24-23-15-8-13-20(25(23)27-26(22)24)16-18-10-4-3-5-11-18/h3-8,10-15,17H,2,9,16H2,1H3
InChIKeyXKHFZRIYPWQJKB-UHFFFAOYSA-N
MW350.46 g/mol
LogP7.28
Rot. Bonds4

About 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran

4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran (PubChem CID 161473617) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran
PubChem CID161473617
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran
SMILESCCCc1c2ccccc2cc2c1oc1c(Cc3ccccc3)cccc12
InChIInChI=1S/C26H22O/c1-2-9-22-21-14-7-6-12-19(21)17-24-23-15-8-13-20(25(23)27-26(22)24)16-18-10-4-3-5-11-18/h3-8,10-15,17H,2,9,16H2,1H3
InChIKeyXKHFZRIYPWQJKB-UHFFFAOYSA-N
XLogP7.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
CID 160947244
6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran
CID 158456001
10-[(2-methylphenyl)methyl]naphtho[1,2-b][1]benzofuran
CID 157274669
1-benzyl-2,3-dipropylbenzene
CID 22920914
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
8-benzyl-2-phenylchromen-4-one
CID 69123022
4-butylanthra[2,1-b][1]benzofuran
CID 89117277
methanamine;1-propylnaphthalene
CID 174438724
1,2,3,4-tetrapropylanthracene
CID 15504630
4-butylanthra[2,1-b][1]benzofuran;tris(4-methylanthra[2,1-b][1]benzofuran);4-pentylanthra[2,1-b][1]benzofuran;4-propylanthra[2,1-b][1]benzofuran
CID 159478485
azane;1-benzyl-3-methylnaphthalene
CID 174691048
3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
CID 176915963

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran (CID 161473617) is 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran is CCCc1c2ccccc2cc2c1oc1c(Cc3ccccc3)cccc12.
What is the InChIKey of 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran?
The InChIKey is XKHFZRIYPWQJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-2-9-22-21-14-7-6-12-19(21)17-24-23-15-8-13-20(25(23)27-26(22)24)16-18-10-4-3-5-11-18/h3-8,10-15,17H,2,9,16H2,1H3.
What are the key properties of 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran?
4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran has a molecular weight of 350.46 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 161473617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).