1-(2,4,5-trimethylphenyl)cycloheptan-1-ol

C16H24O — CID 64985087

IUPAC1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
SMILESCc1cc(C)c(C2(O)CCCCCC2)cc1C
InChIInChI=1S/C16H24O/c1-12-10-14(3)15(11-13(12)2)16(17)8-6-4-5-7-9-16/h10-11,17H,4-9H2,1-3H3
InChIKeyQKELIFPZGALKSV-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.15
Rot. Bonds1

About 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol

1-(2,4,5-trimethylphenyl)cycloheptan-1-ol (PubChem CID 64985087) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
PubChem CID64985087
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
SMILESCc1cc(C)c(C2(O)CCCCCC2)cc1C
InChIInChI=1S/C16H24O/c1-12-10-14(3)15(11-13(12)2)16(17)8-6-4-5-7-9-16/h10-11,17H,4-9H2,1-3H3
InChIKeyQKELIFPZGALKSV-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol?
The IUPAC name of 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol (CID 64985087) is 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol?
The canonical SMILES for 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol is Cc1cc(C)c(C2(O)CCCCCC2)cc1C.
What is the InChIKey of 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol?
The InChIKey is QKELIFPZGALKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12-10-14(3)15(11-13(12)2)16(17)8-6-4-5-7-9-16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol?
1-(2,4,5-trimethylphenyl)cycloheptan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethylphenyl)cycloheptan-1-ol is sourced from PubChem (CID 64985087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).