1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol

C16H24O — CID 106798247

IUPAC1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol
SMILESCC(O)C1(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H24O/c1-12(17)16(9-10-16)11-13-5-7-14(8-6-13)15(2,3)4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyGZDUWEZULBVAQF-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.69
Rot. Bonds3

About 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol

1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol (PubChem CID 106798247) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol
PubChem CID106798247
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol
SMILESCC(O)C1(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H24O/c1-12(17)16(9-10-16)11-13-5-7-14(8-6-13)15(2,3)4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyGZDUWEZULBVAQF-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol (CID 106798247) is 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol is CC(O)C1(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol?
The InChIKey is GZDUWEZULBVAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(17)16(9-10-16)11-13-5-7-14(8-6-13)15(2,3)4/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol?
1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol has a molecular weight of 232.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 106798247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).