2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol

C15H22O2 — CID 104658757

IUPAC2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
SMILESCCCOc1ccccc1C1(O)CCCC1C
InChIInChI=1S/C15H22O2/c1-3-11-17-14-9-5-4-8-13(14)15(16)10-6-7-12(15)2/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3
InChIKeyQSNOQHFDFYTOAQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds4

About 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol

2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol (PubChem CID 104658757) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
PubChem CID104658757
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
SMILESCCCOc1ccccc1C1(O)CCCC1C
InChIInChI=1S/C15H22O2/c1-3-11-17-14-9-5-4-8-13(14)15(16)10-6-7-12(15)2/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3
InChIKeyQSNOQHFDFYTOAQ-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol?
The IUPAC name of 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol (CID 104658757) is 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol?
The canonical SMILES for 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol is CCCOc1ccccc1C1(O)CCCC1C.
What is the InChIKey of 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol?
The InChIKey is QSNOQHFDFYTOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-11-17-14-9-5-4-8-13(14)15(16)10-6-7-12(15)2/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol?
2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol is sourced from PubChem (CID 104658757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).