1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene

C25H28 — CID 173186936

IUPAC1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene
SMILESCc1cccc(Cc2cccc3ccccc23)c1CC1CCCCC1
InChIInChI=1S/C25H28/c1-19-9-7-14-23(25(19)17-20-10-3-2-4-11-20)18-22-15-8-13-21-12-5-6-16-24(21)22/h5-9,12-16,20H,2-4,10-11,17-18H2,1H3
InChIKeyBKYNIGKAHMLZLF-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.86
Rot. Bonds4

About 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene

1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene (PubChem CID 173186936) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene.

Molecular Properties

Compound Name1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene
PubChem CID173186936
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene
SMILESCc1cccc(Cc2cccc3ccccc23)c1CC1CCCCC1
InChIInChI=1S/C25H28/c1-19-9-7-14-23(25(19)17-20-10-3-2-4-11-20)18-22-15-8-13-21-12-5-6-16-24(21)22/h5-9,12-16,20H,2-4,10-11,17-18H2,1H3
InChIKeyBKYNIGKAHMLZLF-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene?
The IUPAC name of 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene (CID 173186936) is 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene.
What is the SMILES notation for 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene?
The canonical SMILES for 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene is Cc1cccc(Cc2cccc3ccccc23)c1CC1CCCCC1.
What is the InChIKey of 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene?
The InChIKey is BKYNIGKAHMLZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-19-9-7-14-23(25(19)17-20-10-3-2-4-11-20)18-22-15-8-13-21-12-5-6-16-24(21)22/h5-9,12-16,20H,2-4,10-11,17-18H2,1H3.
What are the key properties of 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene?
1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene has a molecular weight of 328.50 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene is sourced from PubChem (CID 173186936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).