1-(3-tert-butylphenyl)-1-cyclopropylethanol

C15H22O — CID 91657928

IUPAC1-(3-tert-butylphenyl)-1-cyclopropylethanol
SMILESCC(C)(C)c1cccc(C(C)(O)C2CC2)c1
InChIInChI=1S/C15H22O/c1-14(2,3)12-6-5-7-13(10-12)15(4,16)11-8-9-11/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyRCBVMHQDOSIXKO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.60
Rot. Bonds2

About 1-(3-tert-butylphenyl)-1-cyclopropylethanol

1-(3-tert-butylphenyl)-1-cyclopropylethanol (PubChem CID 91657928) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-1-cyclopropylethanol
PubChem CID91657928
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(3-tert-butylphenyl)-1-cyclopropylethanol
SMILESCC(C)(C)c1cccc(C(C)(O)C2CC2)c1
InChIInChI=1S/C15H22O/c1-14(2,3)12-6-5-7-13(10-12)15(4,16)11-8-9-11/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyRCBVMHQDOSIXKO-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-tert-butylphenyl)-1-cyclopropylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-1-cyclopropylethanol?
The IUPAC name of 1-(3-tert-butylphenyl)-1-cyclopropylethanol (CID 91657928) is 1-(3-tert-butylphenyl)-1-cyclopropylethanol.
What is the SMILES notation for 1-(3-tert-butylphenyl)-1-cyclopropylethanol?
The canonical SMILES for 1-(3-tert-butylphenyl)-1-cyclopropylethanol is CC(C)(C)c1cccc(C(C)(O)C2CC2)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)-1-cyclopropylethanol?
The InChIKey is RCBVMHQDOSIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-14(2,3)12-6-5-7-13(10-12)15(4,16)11-8-9-11/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of 1-(3-tert-butylphenyl)-1-cyclopropylethanol?
1-(3-tert-butylphenyl)-1-cyclopropylethanol has a molecular weight of 218.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)-1-cyclopropylethanol is sourced from PubChem (CID 91657928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).