[2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol

C15H22O — CID 116842736

IUPAC[2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol
SMILESCc1ccc(C2(CO)CC2(C)C)c(C)c1C
InChIInChI=1S/C15H22O/c1-10-6-7-13(12(3)11(10)2)15(9-16)8-14(15,4)5/h6-7,16H,8-9H2,1-5H3
InChIKeyYAMJBVKUFILGLC-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.27
Rot. Bonds2

About [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol

[2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol (PubChem CID 116842736) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol
PubChem CID116842736
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name[2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol
SMILESCc1ccc(C2(CO)CC2(C)C)c(C)c1C
InChIInChI=1S/C15H22O/c1-10-6-7-13(12(3)11(10)2)15(9-16)8-14(15,4)5/h6-7,16H,8-9H2,1-5H3
InChIKeyYAMJBVKUFILGLC-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol?
The IUPAC name of [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol (CID 116842736) is [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol?
The canonical SMILES for [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol is Cc1ccc(C2(CO)CC2(C)C)c(C)c1C.
What is the InChIKey of [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol?
The InChIKey is YAMJBVKUFILGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10-6-7-13(12(3)11(10)2)15(9-16)8-14(15,4)5/h6-7,16H,8-9H2,1-5H3.
What are the key properties of [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol?
[2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol has a molecular weight of 218.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 116842736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).