4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol

C17H25FO — CID 63406827

IUPAC4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(F)c(C2(O)CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H25FO/c1-12-5-6-15(18)14(11-12)17(19)9-7-13(8-10-17)16(2,3)4/h5-6,11,13,19H,7-10H2,1-4H3
InChIKeyBELDVRNGJHOQPL-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.56
Rot. Bonds1

About 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol

4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol (PubChem CID 63406827) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
PubChem CID63406827
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(F)c(C2(O)CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H25FO/c1-12-5-6-15(18)14(11-12)17(19)9-7-13(8-10-17)16(2,3)4/h5-6,11,13,19H,7-10H2,1-4H3
InChIKeyBELDVRNGJHOQPL-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol (CID 63406827) is 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol is Cc1ccc(F)c(C2(O)CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol?
The InChIKey is BELDVRNGJHOQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-12-5-6-15(18)14(11-12)17(19)9-7-13(8-10-17)16(2,3)4/h5-6,11,13,19H,7-10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol?
4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol has a molecular weight of 264.38 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 63406827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).