2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene

C25H22 — CID 19077007

IUPAC2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
SMILESCc1ccc(C(Cc2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H22/c1-19-11-13-22(14-12-19)25(17-20-7-3-2-4-8-20)24-16-15-21-9-5-6-10-23(21)18-24/h2-16,18,25H,17H2,1H3
InChIKeyPZHUYGAONIFFDZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.52
Rot. Bonds4

About 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene

2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene (PubChem CID 19077007) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
PubChem CID19077007
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
SMILESCc1ccc(C(Cc2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H22/c1-19-11-13-22(14-12-19)25(17-20-7-3-2-4-8-20)24-16-15-21-9-5-6-10-23(21)18-24/h2-16,18,25H,17H2,1H3
InChIKeyPZHUYGAONIFFDZ-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-naphthalen-2-yl-2-phenylethanol
CID 2793947
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68735781
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
CID 68735780
N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67203789
benzene;2-methylnaphthalene
CID 159438891
2-(2-methoxy-1-naphthalen-2-ylethyl)naphthalene
CID 3646227
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
3-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67204664
2-[1-(2,4-dimethylphenyl)propyl]anthracene
CID 141153672
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14699384

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene?
The IUPAC name of 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene (CID 19077007) is 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene.
What is the SMILES notation for 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene?
The canonical SMILES for 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene is Cc1ccc(C(Cc2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene?
The InChIKey is PZHUYGAONIFFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-19-11-13-22(14-12-19)25(17-20-7-3-2-4-8-20)24-16-15-21-9-5-6-10-23(21)18-24/h2-16,18,25H,17H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene?
2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene has a molecular weight of 322.45 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene is sourced from PubChem (CID 19077007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).