2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol

C14H20O2 — CID 118899009

IUPAC2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol
SMILESCC(c1cccc(C(C)(C)O)c1O)C1CC1
InChIInChI=1S/C14H20O2/c1-9(10-7-8-10)11-5-4-6-12(13(11)15)14(2,3)16/h4-6,9-10,15-16H,7-8H2,1-3H3
InChIKeyAPNSRXCLFBWWRJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.13
Rot. Bonds3

About 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol

2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol (PubChem CID 118899009) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol
PubChem CID118899009
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol
SMILESCC(c1cccc(C(C)(C)O)c1O)C1CC1
InChIInChI=1S/C14H20O2/c1-9(10-7-8-10)11-5-4-6-12(13(11)15)14(2,3)16/h4-6,9-10,15-16H,7-8H2,1-3H3
InChIKeyAPNSRXCLFBWWRJ-UHFFFAOYSA-N
XLogP3.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol?
The IUPAC name of 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol (CID 118899009) is 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol is CC(c1cccc(C(C)(C)O)c1O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol?
The InChIKey is APNSRXCLFBWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(10-7-8-10)11-5-4-6-12(13(11)15)14(2,3)16/h4-6,9-10,15-16H,7-8H2,1-3H3.
What are the key properties of 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol?
2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol has a molecular weight of 220.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 118899009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).