(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol

C16H18O2 — CID 63366566

IUPAC(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2cccc([C@@H](C)O)c2)cc1
InChIInChI=1S/C16H18O2/c1-12-6-8-14(9-7-12)11-18-16-5-3-4-15(10-16)13(2)17/h3-10,13,17H,11H2,1-2H3/t13-/m1/s1
InChIKeyWZQHEILMGISYTJ-CYBMUJFWSA-N
MW242.32 g/mol
LogP3.63
Rot. Bonds4

About (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol

(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 63366566) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
PubChem CID63366566
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2cccc([C@@H](C)O)c2)cc1
InChIInChI=1S/C16H18O2/c1-12-6-8-14(9-7-12)11-18-16-5-3-4-15(10-16)13(2)17/h3-10,13,17H,11H2,1-2H3/t13-/m1/s1
InChIKeyWZQHEILMGISYTJ-CYBMUJFWSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 65476801
(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
CID 55190777
(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78933667
2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol (CID 63366566) is (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol is Cc1ccc(COc2cccc([C@@H](C)O)c2)cc1.
What is the InChIKey of (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol?
The InChIKey is WZQHEILMGISYTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18O2/c1-12-6-8-14(9-7-12)11-18-16-5-3-4-15(10-16)13(2)17/h3-10,13,17H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol?
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol has a molecular weight of 242.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 63366566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).