4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol

C17H18O3 — CID 114521016

IUPAC4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H18O3/c1-17(19,12-5-7-14(18)8-6-12)13-3-2-4-16(11-13)20-15-9-10-15/h2-8,11,15,18-19H,9-10H2,1H3
InChIKeyAKMGPUNGPVBFFE-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.19
Rot. Bonds4

About 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol

4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol (PubChem CID 114521016) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
PubChem CID114521016
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H18O3/c1-17(19,12-5-7-14(18)8-6-12)13-3-2-4-16(11-13)20-15-9-10-15/h2-8,11,15,18-19H,9-10H2,1H3
InChIKeyAKMGPUNGPVBFFE-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

1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114518723
1-(3-cyclopropyloxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
CID 140866719
1-(3-cyclopropyloxyphenyl)-1-(2-methylphenyl)ethanol
CID 114520751
1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol
CID 114523447
4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol
CID 114523428
1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol
CID 114518706
3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
CID 114520776
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
CID 114601094

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol (CID 114521016) is 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol is CC(O)(c1ccc(O)cc1)c1cccc(OC2CC2)c1.
What is the InChIKey of 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol?
The InChIKey is AKMGPUNGPVBFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(19,12-5-7-14(18)8-6-12)13-3-2-4-16(11-13)20-15-9-10-15/h2-8,11,15,18-19H,9-10H2,1H3.
What are the key properties of 4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol?
4-[1-(3-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-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol is sourced from PubChem (CID 114521016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).