4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran

C19H16O — CID 164666946

IUPAC4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran
SMILESCc1ccc(-c2c3c(cc4ccccc24)COC3)cc1
InChIInChI=1S/C19H16O/c1-13-6-8-14(9-7-13)19-17-5-3-2-4-15(17)10-16-11-20-12-18(16)19/h2-10H,11-12H2,1H3
InChIKeyDBGKEEUYJTYZAI-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.85
Rot. Bonds1

About 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran

4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran (PubChem CID 164666946) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran.

Molecular Properties

Compound Name4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran
PubChem CID164666946
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran
SMILESCc1ccc(-c2c3c(cc4ccccc24)COC3)cc1
InChIInChI=1S/C19H16O/c1-13-6-8-14(9-7-13)19-17-5-3-2-4-15(17)10-16-11-20-12-18(16)19/h2-10H,11-12H2,1H3
InChIKeyDBGKEEUYJTYZAI-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3618754
4-(Methoxy-phenyl-methyl)-biphenyl
CID 4408101
Edmba
CID 38354
3-Naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene
CID 70687403
3-[3-(4-fluorophenyl)-1H-benzo[f][2]benzofuran-3-yl]-N,N-dimethylpropan-1-amine
CID 137636508

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran?
The IUPAC name of 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran (CID 164666946) is 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran.
What is the SMILES notation for 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran?
The canonical SMILES for 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran is Cc1ccc(-c2c3c(cc4ccccc24)COC3)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran?
The InChIKey is DBGKEEUYJTYZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-13-6-8-14(9-7-13)19-17-5-3-2-4-15(17)10-16-11-20-12-18(16)19/h2-10H,11-12H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran?
4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran has a molecular weight of 260.34 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran is sourced from PubChem (CID 164666946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).