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

C24H18O — CID 160947244

IUPAC4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
SMILESCc1c2ccccc2cc2c1oc1c(Cc3ccccc3)cccc12
InChIInChI=1S/C24H18O/c1-16-20-12-6-5-10-18(20)15-22-21-13-7-11-19(24(21)25-23(16)22)14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3
InChIKeyIUEDZPHSMMTOGL-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.64
Rot. Bonds2

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

4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran (PubChem CID 160947244) has the molecular formula C24H18O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
PubChem CID160947244
Molecular FormulaC24H18O
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
SMILESCc1c2ccccc2cc2c1oc1c(Cc3ccccc3)cccc12
InChIInChI=1S/C24H18O/c1-16-20-12-6-5-10-18(20)15-22-21-13-7-11-19(24(21)25-23(16)22)14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3
InChIKeyIUEDZPHSMMTOGL-UHFFFAOYSA-N
XLogP6.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran
CID 161473617
10-[(2-methylphenyl)methyl]naphtho[1,2-b][1]benzofuran
CID 157274669
azane;1-benzyl-3-methylnaphthalene
CID 174691048
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
8-benzyl-2-phenylchromen-4-one
CID 69123022
3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane
CID 160912845
6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran
CID 158456001
3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide
CID 154090261
4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane
CID 159948960
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-methylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran (CID 160947244) is 4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran is Cc1c2ccccc2cc2c1oc1c(Cc3ccccc3)cccc12.
What is the InChIKey of 4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran?
The InChIKey is IUEDZPHSMMTOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O/c1-16-20-12-6-5-10-18(20)15-22-21-13-7-11-19(24(21)25-23(16)22)14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3.
What are the key properties of 4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran?
4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran has a molecular weight of 322.41 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 160947244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).