(2-methyl-4-propylphenyl)methylcycloheptane

C18H28 — CID 123992425

IUPAC(2-methyl-4-propylphenyl)methylcycloheptane
SMILESCCCc1ccc(CC2CCCCCC2)c(C)c1
InChIInChI=1S/C18H28/c1-3-8-16-11-12-18(15(2)13-16)14-17-9-6-4-5-7-10-17/h11-13,17H,3-10,14H2,1-2H3
InChIKeyUMIBOXWBPONRSF-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.46
Rot. Bonds4

About (2-methyl-4-propylphenyl)methylcycloheptane

(2-methyl-4-propylphenyl)methylcycloheptane (PubChem CID 123992425) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is (2-methyl-4-propylphenyl)methylcycloheptane.

Molecular Properties

Compound Name(2-methyl-4-propylphenyl)methylcycloheptane
PubChem CID123992425
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name(2-methyl-4-propylphenyl)methylcycloheptane
SMILESCCCc1ccc(CC2CCCCCC2)c(C)c1
InChIInChI=1S/C18H28/c1-3-8-16-11-12-18(15(2)13-16)14-17-9-6-4-5-7-10-17/h11-13,17H,3-10,14H2,1-2H3
InChIKeyUMIBOXWBPONRSF-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propylphenyl)methylcycloheptane?
The IUPAC name of (2-methyl-4-propylphenyl)methylcycloheptane (CID 123992425) is (2-methyl-4-propylphenyl)methylcycloheptane.
What is the SMILES notation for (2-methyl-4-propylphenyl)methylcycloheptane?
The canonical SMILES for (2-methyl-4-propylphenyl)methylcycloheptane is CCCc1ccc(CC2CCCCCC2)c(C)c1.
What is the InChIKey of (2-methyl-4-propylphenyl)methylcycloheptane?
The InChIKey is UMIBOXWBPONRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-3-8-16-11-12-18(15(2)13-16)14-17-9-6-4-5-7-10-17/h11-13,17H,3-10,14H2,1-2H3.
What are the key properties of (2-methyl-4-propylphenyl)methylcycloheptane?
(2-methyl-4-propylphenyl)methylcycloheptane has a molecular weight of 244.42 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propylphenyl)methylcycloheptane is sourced from PubChem (CID 123992425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).