(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol

C18H22O3 — CID 82002762

IUPAC(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCc2cc(C)ccc2C)c1
InChIInChI=1S/C18H22O3/c1-12-5-6-13(2)15(9-12)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m1/s1
InChIKeyWAWVLHDUHOPOHE-CQSZACIVSA-N
MW286.37 g/mol
LogP3.94
Rot. Bonds5

About (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol

(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol (PubChem CID 82002762) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
PubChem CID82002762
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCc2cc(C)ccc2C)c1
InChIInChI=1S/C18H22O3/c1-12-5-6-13(2)15(9-12)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m1/s1
InChIKeyWAWVLHDUHOPOHE-CQSZACIVSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003422
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
(1R)-1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002286
(1S)-1-[2-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002549
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
(1S)-1-[2-[(2-fluoro-4-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 102877108

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol (CID 82002762) is (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol is COc1ccc([C@@H](C)O)c(OCc2cc(C)ccc2C)c1.
What is the InChIKey of (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol?
The InChIKey is WAWVLHDUHOPOHE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22O3/c1-12-5-6-13(2)15(9-12)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol?
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol has a molecular weight of 286.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82002762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).