1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene

C21H22 — CID 174418376

IUPAC1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
SMILESCc1cccc(C(C)(C)c2cccc3ccccc23)c1C
InChIInChI=1S/C21H22/c1-15-9-7-13-19(16(15)2)21(3,4)20-14-8-11-17-10-5-6-12-18(17)20/h5-14H,1-4H3
InChIKeyPRFOMFHAVZBRAC-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.78
Rot. Bonds2

About 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene

1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene (PubChem CID 174418376) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
PubChem CID174418376
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
SMILESCc1cccc(C(C)(C)c2cccc3ccccc23)c1C
InChIInChI=1S/C21H22/c1-15-9-7-13-19(16(15)2)21(3,4)20-14-8-11-17-10-5-6-12-18(17)20/h5-14H,1-4H3
InChIKeyPRFOMFHAVZBRAC-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene?
The IUPAC name of 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene (CID 174418376) is 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene.
What is the SMILES notation for 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene?
The canonical SMILES for 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene is Cc1cccc(C(C)(C)c2cccc3ccccc23)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene?
The InChIKey is PRFOMFHAVZBRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-15-9-7-13-19(16(15)2)21(3,4)20-14-8-11-17-10-5-6-12-18(17)20/h5-14H,1-4H3.
What are the key properties of 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene?
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene has a molecular weight of 274.41 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene is sourced from PubChem (CID 174418376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).