2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene

C21H22O — CID 57017864

IUPAC2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene
SMILESCOc1ccc(C2(C3CC3)C=Cc3c(C)cccc3C2)cc1
InChIInChI=1S/C21H22O/c1-15-4-3-5-16-14-21(17-6-7-17,13-12-20(15)16)18-8-10-19(22-2)11-9-18/h3-5,8-13,17H,6-7,14H2,1-2H3
InChIKeyCECYCDRHQIDVHM-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.92
Rot. Bonds3

About 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene

2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene (PubChem CID 57017864) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene
PubChem CID57017864
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene
SMILESCOc1ccc(C2(C3CC3)C=Cc3c(C)cccc3C2)cc1
InChIInChI=1S/C21H22O/c1-15-4-3-5-16-14-21(17-6-7-17,13-12-20(15)16)18-8-10-19(22-2)11-9-18/h3-5,8-13,17H,6-7,14H2,1-2H3
InChIKeyCECYCDRHQIDVHM-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene?
The IUPAC name of 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene (CID 57017864) is 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene.
What is the SMILES notation for 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene?
The canonical SMILES for 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene is COc1ccc(C2(C3CC3)C=Cc3c(C)cccc3C2)cc1.
What is the InChIKey of 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene?
The InChIKey is CECYCDRHQIDVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-15-4-3-5-16-14-21(17-6-7-17,13-12-20(15)16)18-8-10-19(22-2)11-9-18/h3-5,8-13,17H,6-7,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene?
2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene has a molecular weight of 290.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene is sourced from PubChem (CID 57017864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).