3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol

C15H22O2 — CID 112508227

IUPAC3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1ccc(C(CCO)C2CC2)cc1
InChIInChI=1S/C15H22O2/c1-11(2)17-14-7-5-13(6-8-14)15(9-10-16)12-3-4-12/h5-8,11-12,15-16H,3-4,9-10H2,1-2H3
InChIKeyQZGDXTMPNKVAHX-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds6

About 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol

3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 112508227) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol
PubChem CID112508227
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1ccc(C(CCO)C2CC2)cc1
InChIInChI=1S/C15H22O2/c1-11(2)17-14-7-5-13(6-8-14)15(9-10-16)12-3-4-12/h5-8,11-12,15-16H,3-4,9-10H2,1-2H3
InChIKeyQZGDXTMPNKVAHX-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-phenylpropan-1-ol
CID 19754835
4-(1-cyclobutyl-3-hydroxypropyl)phenol
CID 115024794
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol
CID 82366966
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171189675
N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43100411
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 114357850
N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019318
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol (CID 112508227) is 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol is CC(C)Oc1ccc(C(CCO)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is QZGDXTMPNKVAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)17-14-7-5-13(6-8-14)15(9-10-16)12-3-4-12/h5-8,11-12,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol?
3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 112508227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).