3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol

C16H18O3 — CID 23050674

IUPAC3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
SMILESOc1cccc(CCOCCc2cccc(O)c2)c1
InChIInChI=1S/C16H18O3/c17-15-5-1-3-13(11-15)7-9-19-10-8-14-4-2-6-16(18)12-14/h1-6,11-12,17-18H,7-10H2
InChIKeyNAZFKWDPWFRSLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.90
Rot. Bonds6

About 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol

3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol (PubChem CID 23050674) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
PubChem CID23050674
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
SMILESOc1cccc(CCOCCc2cccc(O)c2)c1
InChIInChI=1S/C16H18O3/c17-15-5-1-3-13(11-15)7-9-19-10-8-14-4-2-6-16(18)12-14/h1-6,11-12,17-18H,7-10H2
InChIKeyNAZFKWDPWFRSLB-UHFFFAOYSA-N
XLogP2.90
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminooxyethyl)phenol
CID 83479668
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-(4-iodobutyl)phenol
CID 174588102
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
2-(3-hydroxyphenyl)ethylboronic acid
CID 55255673
3-(4-hydroxybutyl)phenol
CID 19991537
3-(3-sulfanylpropyl)phenol
CID 57206434
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
[3-(2-phenylmethoxyethyl)phenyl]methanol
CID 59371444
phenol;3-propylphenol
CID 66960022
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol?
The IUPAC name of 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol (CID 23050674) is 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol.
What is the SMILES notation for 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol?
The canonical SMILES for 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol is Oc1cccc(CCOCCc2cccc(O)c2)c1.
What is the InChIKey of 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol?
The InChIKey is NAZFKWDPWFRSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c17-15-5-1-3-13(11-15)7-9-19-10-8-14-4-2-6-16(18)12-14/h1-6,11-12,17-18H,7-10H2.
What are the key properties of 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol?
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol is sourced from PubChem (CID 23050674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).