(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol

C17H20O2 — CID 78930281

IUPAC(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1cc(C)cc(COc2ccc([C@H](C)O)cc2)c1
InChIInChI=1S/C17H20O2/c1-12-8-13(2)10-15(9-12)11-19-17-6-4-16(5-7-17)14(3)18/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1
InChIKeyHLRMOYGOZSWECA-AWEZNQCLSA-N
MW256.34 g/mol
LogP3.94
Rot. Bonds4

About (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol

(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol (PubChem CID 78930281) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
PubChem CID78930281
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1cc(C)cc(COc2ccc([C@H](C)O)cc2)c1
InChIInChI=1S/C17H20O2/c1-12-8-13(2)10-15(9-12)11-19-17-6-4-16(5-7-17)14(3)18/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1
InChIKeyHLRMOYGOZSWECA-AWEZNQCLSA-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

(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol
CID 106864305
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78930231
4-[(3,5-dimethylphenyl)methoxy]benzenecarbothioamide
CID 54911327
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
CID 110184490
1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
CID 139765630
(1R)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanol
CID 63364307

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol (CID 78930281) is (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol is Cc1cc(C)cc(COc2ccc([C@H](C)O)cc2)c1.
What is the InChIKey of (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol?
The InChIKey is HLRMOYGOZSWECA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20O2/c1-12-8-13(2)10-15(9-12)11-19-17-6-4-16(5-7-17)14(3)18/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol?
(1S)-1-[4-[(3,5-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 (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78930281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).