1-(4-methylphenyl)-4-phenoxynaphthalene

C23H18O — CID 174669549

IUPAC1-(4-methylphenyl)-4-phenoxynaphthalene
SMILESCc1ccc(-c2ccc(Oc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C23H18O/c1-17-11-13-18(14-12-17)20-15-16-23(22-10-6-5-9-21(20)22)24-19-7-3-2-4-8-19/h2-16H,1H3
InChIKeyQQRSRBUVMRJPHD-UHFFFAOYSA-N
MW310.40 g/mol
LogP6.61
Rot. Bonds3

About 1-(4-methylphenyl)-4-phenoxynaphthalene

1-(4-methylphenyl)-4-phenoxynaphthalene (PubChem CID 174669549) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-phenoxynaphthalene.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-phenoxynaphthalene
PubChem CID174669549
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name1-(4-methylphenyl)-4-phenoxynaphthalene
SMILESCc1ccc(-c2ccc(Oc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C23H18O/c1-17-11-13-18(14-12-17)20-15-16-23(22-10-6-5-9-21(20)22)24-19-7-3-2-4-8-19/h2-16H,1H3
InChIKeyQQRSRBUVMRJPHD-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-phenoxynaphthalene?
The IUPAC name of 1-(4-methylphenyl)-4-phenoxynaphthalene (CID 174669549) is 1-(4-methylphenyl)-4-phenoxynaphthalene.
What is the SMILES notation for 1-(4-methylphenyl)-4-phenoxynaphthalene?
The canonical SMILES for 1-(4-methylphenyl)-4-phenoxynaphthalene is Cc1ccc(-c2ccc(Oc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-phenoxynaphthalene?
The InChIKey is QQRSRBUVMRJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c1-17-11-13-18(14-12-17)20-15-16-23(22-10-6-5-9-21(20)22)24-19-7-3-2-4-8-19/h2-16H,1H3.
What are the key properties of 1-(4-methylphenyl)-4-phenoxynaphthalene?
1-(4-methylphenyl)-4-phenoxynaphthalene has a molecular weight of 310.40 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-phenoxynaphthalene is sourced from PubChem (CID 174669549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).