1-benzyl-4-methyl-1,8a-dihydronaphthalene

C18H18 — CID 163719279

IUPAC1-benzyl-4-methyl-1,8a-dihydronaphthalene
SMILESCC1=C2C=CC=CC2C(Cc2ccccc2)C=C1
InChIInChI=1S/C18H18/c1-14-11-12-16(13-15-7-3-2-4-8-15)18-10-6-5-9-17(14)18/h2-12,16,18H,13H2,1H3
InChIKeyKQCDOECQFCHPNP-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.47
Rot. Bonds2

About 1-benzyl-4-methyl-1,8a-dihydronaphthalene

1-benzyl-4-methyl-1,8a-dihydronaphthalene (PubChem CID 163719279) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-benzyl-4-methyl-1,8a-dihydronaphthalene.

Molecular Properties

Compound Name1-benzyl-4-methyl-1,8a-dihydronaphthalene
PubChem CID163719279
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-benzyl-4-methyl-1,8a-dihydronaphthalene
SMILESCC1=C2C=CC=CC2C(Cc2ccccc2)C=C1
InChIInChI=1S/C18H18/c1-14-11-12-16(13-15-7-3-2-4-8-15)18-10-6-5-9-17(14)18/h2-12,16,18H,13H2,1H3
InChIKeyKQCDOECQFCHPNP-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-1,8a-dihydronaphthalene?
The IUPAC name of 1-benzyl-4-methyl-1,8a-dihydronaphthalene (CID 163719279) is 1-benzyl-4-methyl-1,8a-dihydronaphthalene.
What is the SMILES notation for 1-benzyl-4-methyl-1,8a-dihydronaphthalene?
The canonical SMILES for 1-benzyl-4-methyl-1,8a-dihydronaphthalene is CC1=C2C=CC=CC2C(Cc2ccccc2)C=C1.
What is the InChIKey of 1-benzyl-4-methyl-1,8a-dihydronaphthalene?
The InChIKey is KQCDOECQFCHPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-14-11-12-16(13-15-7-3-2-4-8-15)18-10-6-5-9-17(14)18/h2-12,16,18H,13H2,1H3.
What are the key properties of 1-benzyl-4-methyl-1,8a-dihydronaphthalene?
1-benzyl-4-methyl-1,8a-dihydronaphthalene has a molecular weight of 234.34 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-1,8a-dihydronaphthalene is sourced from PubChem (CID 163719279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).