4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol

C17H18O3 — CID 114518723

IUPAC4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H18O3/c1-17(19,12-2-6-14(18)7-3-12)13-4-8-15(9-5-13)20-16-10-11-16/h2-9,16,18-19H,10-11H2,1H3
InChIKeyMZCLLINFOSDGMI-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.19
Rot. Bonds4

About 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol

4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol (PubChem CID 114518723) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
PubChem CID114518723
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H18O3/c1-17(19,12-2-6-14(18)7-3-12)13-4-8-15(9-5-13)20-16-10-11-16/h2-9,16,18-19H,10-11H2,1H3
InChIKeyMZCLLINFOSDGMI-UHFFFAOYSA-N
XLogP3.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114521016
1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol
CID 114518706
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
4-cycloheptyloxyphenol
CID 67178425
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
4-(4-hydroxyphenoxy)cyclohexan-1-one
CID 18359489
1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
CID 64764201
3-(4-cyclopropyloxyphenyl)-3-methylbutan-1-amine
CID 114520455
tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol
CID 89453263
3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine
CID 114520483

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol (CID 114518723) is 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol is CC(O)(c1ccc(O)cc1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol?
The InChIKey is MZCLLINFOSDGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(19,12-2-6-14(18)7-3-12)13-4-8-15(9-5-13)20-16-10-11-16/h2-9,16,18-19H,10-11H2,1H3.
What are the key properties of 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol?
4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol is sourced from PubChem (CID 114518723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).