1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol

C12H16O2 — CID 117113871

IUPAC1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol
SMILESCC(C)(O)c1ccccc1C1(O)CC1
InChIInChI=1S/C12H16O2/c1-11(2,13)9-5-3-4-6-10(9)12(14)7-8-12/h3-6,13-14H,7-8H2,1-2H3
InChIKeyTXTBRTYOPIIPNY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.90
Rot. Bonds2

About 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol

1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol (PubChem CID 117113871) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol
PubChem CID117113871
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol
SMILESCC(C)(O)c1ccccc1C1(O)CC1
InChIInChI=1S/C12H16O2/c1-11(2,13)9-5-3-4-6-10(9)12(14)7-8-12/h3-6,13-14H,7-8H2,1-2H3
InChIKeyTXTBRTYOPIIPNY-UHFFFAOYSA-N
XLogP1.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol (CID 117113871) is 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol is CC(C)(O)c1ccccc1C1(O)CC1.
What is the InChIKey of 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol?
The InChIKey is TXTBRTYOPIIPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-11(2,13)9-5-3-4-6-10(9)12(14)7-8-12/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol?
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117113871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).