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

C17H20O2 — CID 55190777

IUPAC(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2cccc([C@@H](C)O)c2)cc1C
InChIInChI=1S/C17H20O2/c1-12-7-8-15(9-13(12)2)11-19-17-6-4-5-16(10-17)14(3)18/h4-10,14,18H,11H2,1-3H3/t14-/m1/s1
InChIKeyHZQMCILUQWTQDO-CQSZACIVSA-N
MW256.34 g/mol
LogP3.94
Rot. Bonds4

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

(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol (PubChem CID 55190777) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
PubChem CID55190777
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2cccc([C@@H](C)O)c2)cc1C
InChIInChI=1S/C17H20O2/c1-12-7-8-15(9-13(12)2)11-19-17-6-4-5-16(10-17)14(3)18/h4-10,14,18H,11H2,1-3H3/t14-/m1/s1
InChIKeyHZQMCILUQWTQDO-CQSZACIVSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63366566
1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
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CID 78933407
(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78933667
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
(1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78934177
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol (CID 55190777) is (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol is Cc1ccc(COc2cccc([C@@H](C)O)c2)cc1C.
What is the InChIKey of (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol?
The InChIKey is HZQMCILUQWTQDO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20O2/c1-12-7-8-15(9-13(12)2)11-19-17-6-4-5-16(10-17)14(3)18/h4-10,14,18H,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol?
(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol has a molecular weight of 256.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 55190777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).