(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol

C16H18O2 — CID 78931363

IUPAC(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C16H18O2/c1-13(17)15-9-5-6-10-16(15)18-12-11-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t13-/m0/s1
InChIKeySTADFPGXVMODLG-ZDUSSCGKSA-N
MW242.32 g/mol
LogP3.36
Rot. Bonds5

About (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol

(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol (PubChem CID 78931363) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
PubChem CID78931363
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C16H18O2/c1-13(17)15-9-5-6-10-16(15)18-12-11-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t13-/m0/s1
InChIKeySTADFPGXVMODLG-ZDUSSCGKSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65447336
(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
CID 78931026
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol (CID 78931363) is (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol is C[C@H](O)c1ccccc1OCCc1ccccc1.
What is the InChIKey of (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol?
The InChIKey is STADFPGXVMODLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18O2/c1-13(17)15-9-5-6-10-16(15)18-12-11-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol?
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol has a molecular weight of 242.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-phenylethoxy)phenyl]ethanol is sourced from PubChem (CID 78931363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).