(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol

C17H20O3 — CID 65447336

IUPAC(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
SMILESCOc1ccc(CCOc2ccccc2[C@H](C)O)cc1
InChIInChI=1S/C17H20O3/c1-13(18)16-5-3-4-6-17(16)20-12-11-14-7-9-15(19-2)10-8-14/h3-10,13,18H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyQHOXRVKLBDIZCU-ZDUSSCGKSA-N
MW272.34 g/mol
LogP3.37
Rot. Bonds6

About (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol

(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol (PubChem CID 65447336) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
PubChem CID65447336
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
SMILESCOc1ccc(CCOc2ccccc2[C@H](C)O)cc1
InChIInChI=1S/C17H20O3/c1-13(18)16-5-3-4-6-17(16)20-12-11-14-7-9-15(19-2)10-8-14/h3-10,13,18H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyQHOXRVKLBDIZCU-ZDUSSCGKSA-N
XLogP3.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446390
1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
CID 65445812
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137
2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107713184
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol (CID 65447336) is (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol is COc1ccc(CCOc2ccccc2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The InChIKey is QHOXRVKLBDIZCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20O3/c1-13(18)16-5-3-4-6-17(16)20-12-11-14-7-9-15(19-2)10-8-14/h3-10,13,18H,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol has a molecular weight of 272.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 65447336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).