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

C17H20O4 — CID 78933373

IUPAC(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(COc2ccc([C@H](C)O)cc2)cc1OC
InChIInChI=1S/C17H20O4/c1-12(18)14-5-7-15(8-6-14)21-11-13-4-9-16(19-2)17(10-13)20-3/h4-10,12,18H,11H2,1-3H3/t12-/m0/s1
InChIKeyOCOXDZYYYPOJNC-LBPRGKRZSA-N
MW288.34 g/mol
LogP3.34
Rot. Bonds6

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

(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol (PubChem CID 78933373) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
PubChem CID78933373
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(COc2ccc([C@H](C)O)cc2)cc1OC
InChIInChI=1S/C17H20O4/c1-12(18)14-5-7-15(8-6-14)21-11-13-4-9-16(19-2)17(10-13)20-3/h4-10,12,18H,11H2,1-3H3/t12-/m0/s1
InChIKeyOCOXDZYYYPOJNC-LBPRGKRZSA-N
XLogP3.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
3-(3,4-dimethoxyphenyl)propyl-[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]azanium chloride
CID 110185116
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
(1S)-1-[4-[(2-methoxyphenyl)methoxy]phenyl]ethanol
CID 78930283
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78930231

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol (CID 78933373) is (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol is COc1ccc(COc2ccc([C@H](C)O)cc2)cc1OC.
What is the InChIKey of (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol?
The InChIKey is OCOXDZYYYPOJNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20O4/c1-12(18)14-5-7-15(8-6-14)21-11-13-4-9-16(19-2)17(10-13)20-3/h4-10,12,18H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol?
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol has a molecular weight of 288.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78933373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).