2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol

C20H30O — CID 169005685

IUPAC2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol
SMILESOCCc1cc(CCCC2CC2)cc(CCCC2CC2)c1
InChIInChI=1S/C20H30O/c21-12-11-20-14-18(5-1-3-16-7-8-16)13-19(15-20)6-2-4-17-9-10-17/h13-17,21H,1-12H2
InChIKeyZYIKBJCHWOVDRY-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.69
Rot. Bonds10

About 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol

2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol (PubChem CID 169005685) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol
PubChem CID169005685
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol
SMILESOCCc1cc(CCCC2CC2)cc(CCCC2CC2)c1
InChIInChI=1S/C20H30O/c21-12-11-20-14-18(5-1-3-16-7-8-16)13-19(15-20)6-2-4-17-9-10-17/h13-17,21H,1-12H2
InChIKeyZYIKBJCHWOVDRY-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol?
The IUPAC name of 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol (CID 169005685) is 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol?
The canonical SMILES for 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol is OCCc1cc(CCCC2CC2)cc(CCCC2CC2)c1.
What is the InChIKey of 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol?
The InChIKey is ZYIKBJCHWOVDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c21-12-11-20-14-18(5-1-3-16-7-8-16)13-19(15-20)6-2-4-17-9-10-17/h13-17,21H,1-12H2.
What are the key properties of 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol?
2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol has a molecular weight of 286.46 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol is sourced from PubChem (CID 169005685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).