4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol

C21H26O — CID 70666036

IUPAC4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol
SMILESCCCc1ccccc1C(C)C1(c2ccc(O)cc2)CCC1
InChIInChI=1S/C21H26O/c1-3-7-17-8-4-5-9-20(17)16(2)21(14-6-15-21)18-10-12-19(22)13-11-18/h4-5,8-13,16,22H,3,6-7,14-15H2,1-2H3
InChIKeyGHCWXCAULXSTQI-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.57
Rot. Bonds5

About 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol

4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol (PubChem CID 70666036) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol
PubChem CID70666036
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol
SMILESCCCc1ccccc1C(C)C1(c2ccc(O)cc2)CCC1
InChIInChI=1S/C21H26O/c1-3-7-17-8-4-5-9-20(17)16(2)21(14-6-15-21)18-10-12-19(22)13-11-18/h4-5,8-13,16,22H,3,6-7,14-15H2,1-2H3
InChIKeyGHCWXCAULXSTQI-UHFFFAOYSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol?
The IUPAC name of 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol (CID 70666036) is 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol.
What is the SMILES notation for 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol?
The canonical SMILES for 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol is CCCc1ccccc1C(C)C1(c2ccc(O)cc2)CCC1.
What is the InChIKey of 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol?
The InChIKey is GHCWXCAULXSTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-3-7-17-8-4-5-9-20(17)16(2)21(14-6-15-21)18-10-12-19(22)13-11-18/h4-5,8-13,16,22H,3,6-7,14-15H2,1-2H3.
What are the key properties of 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol?
4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol has a molecular weight of 294.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol is sourced from PubChem (CID 70666036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).