1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran

C23H16O — CID 175881286

IUPAC1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
SMILESCc1ccc2ccccc2c1-c1coc2ccc3ccccc3c12
InChIInChI=1S/C23H16O/c1-15-10-11-16-6-2-4-8-18(16)22(15)20-14-24-21-13-12-17-7-3-5-9-19(17)23(20)21/h2-14H,1H3
InChIKeyOAHSPPHUYHRZHH-UHFFFAOYSA-N
MW308.38 g/mol
LogP6.71
Rot. Bonds1

About 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran

1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran (PubChem CID 175881286) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
PubChem CID175881286
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
SMILESCc1ccc2ccccc2c1-c1coc2ccc3ccccc3c12
InChIInChI=1S/C23H16O/c1-15-10-11-16-6-2-4-8-18(16)22(15)20-14-24-21-13-12-17-7-3-5-9-19(17)23(20)21/h2-14H,1H3
InChIKeyOAHSPPHUYHRZHH-UHFFFAOYSA-N
XLogP6.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylbenzo[e][1]benzofuran
CID 13085655
1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
CID 174306507
1-(2-bromophenyl)benzo[e][1]benzofuran
CID 12028023
1-naphthalen-2-ylbenzo[e][1]benzofuran
CID 151742826
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
1-(1-benzofuran-3-yl)naphthalen-2-amine
CID 134369746
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888487

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran (CID 175881286) is 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran is Cc1ccc2ccccc2c1-c1coc2ccc3ccccc3c12.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran?
The InChIKey is OAHSPPHUYHRZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c1-15-10-11-16-6-2-4-8-18(16)22(15)20-14-24-21-13-12-17-7-3-5-9-19(17)23(20)21/h2-14H,1H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran?
1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran has a molecular weight of 308.38 g/mol, XLogP of 6.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran is sourced from PubChem (CID 175881286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).