1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol

C18H28O — CID 65090602

IUPAC1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2ccccc2C)CC1
InChIInChI=1S/C18H28O/c1-3-7-16-9-6-12-18(19,13-11-16)14-17-10-5-4-8-15(17)2/h4-5,8,10,16,19H,3,6-7,9,11-14H2,1-2H3
InChIKeySZSKQYXCBMLEDK-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.65
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol

1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol (PubChem CID 65090602) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
PubChem CID65090602
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2ccccc2C)CC1
InChIInChI=1S/C18H28O/c1-3-7-16-9-6-12-18(19,13-11-16)14-17-10-5-4-8-15(17)2/h4-5,8,10,16,19H,3,6-7,9,11-14H2,1-2H3
InChIKeySZSKQYXCBMLEDK-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol (CID 65090602) is 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(Cc2ccccc2C)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol?
The InChIKey is SZSKQYXCBMLEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-7-16-9-6-12-18(19,13-11-16)14-17-10-5-4-8-15(17)2/h4-5,8,10,16,19H,3,6-7,9,11-14H2,1-2H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol?
1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65090602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).