1-methyl-2-[(2-methylphenyl)methyl]cycloheptane

C16H24 — CID 145268468

IUPAC1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
SMILESCc1ccccc1CC1CCCCCC1C
InChIInChI=1S/C16H24/c1-13-8-4-3-5-10-15(13)12-16-11-7-6-9-14(16)2/h6-7,9,11,13,15H,3-5,8,10,12H2,1-2H3
InChIKeyISVKLIGDLUBKEE-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.75
Rot. Bonds2

About 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane

1-methyl-2-[(2-methylphenyl)methyl]cycloheptane (PubChem CID 145268468) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane.

Molecular Properties

Compound Name1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
PubChem CID145268468
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
SMILESCc1ccccc1CC1CCCCCC1C
InChIInChI=1S/C16H24/c1-13-8-4-3-5-10-15(13)12-16-11-7-6-9-14(16)2/h6-7,9,11,13,15H,3-5,8,10,12H2,1-2H3
InChIKeyISVKLIGDLUBKEE-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane?
The IUPAC name of 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane (CID 145268468) is 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane.
What is the SMILES notation for 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane?
The canonical SMILES for 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane is Cc1ccccc1CC1CCCCCC1C.
What is the InChIKey of 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane?
The InChIKey is ISVKLIGDLUBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-13-8-4-3-5-10-15(13)12-16-11-7-6-9-14(16)2/h6-7,9,11,13,15H,3-5,8,10,12H2,1-2H3.
What are the key properties of 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane?
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane has a molecular weight of 216.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylphenyl)methyl]cycloheptane is sourced from PubChem (CID 145268468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).