(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol

C18H22O3 — CID 82003422

IUPAC(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22O3/c1-12-5-6-15(9-13(12)2)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m0/s1
InChIKeyYYPJSHZCVBSMOT-AWEZNQCLSA-N
MW286.37 g/mol
LogP3.94
Rot. Bonds5

About (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol

(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol (PubChem CID 82003422) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
PubChem CID82003422
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22O3/c1-12-5-6-15(9-13(12)2)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m0/s1
InChIKeyYYPJSHZCVBSMOT-AWEZNQCLSA-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

(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
CID 82002712
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 62537327
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
CID 82000952
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003210
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1S)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002108
1-[4-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82001009
(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001492

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol (CID 82003422) is (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol is COc1ccc([C@H](C)O)c(OCc2ccc(C)c(C)c2)c1.
What is the InChIKey of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol?
The InChIKey is YYPJSHZCVBSMOT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22O3/c1-12-5-6-15(9-13(12)2)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol?
(1S)-1-[2-[(3,4-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 (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82003422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).