(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol

C16H18O4 — CID 78941782

IUPAC(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
SMILESCOc1cc(OC)cc(Oc2ccc([C@@H](C)O)cc2)c1
InChIInChI=1S/C16H18O4/c1-11(17)12-4-6-13(7-5-12)20-16-9-14(18-2)8-15(10-16)19-3/h4-11,17H,1-3H3/t11-/m1/s1
InChIKeyLIIKGPFKJUEEBT-LLVKDONJSA-N
MW274.32 g/mol
LogP3.55
Rot. Bonds5

About (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol

(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol (PubChem CID 78941782) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
PubChem CID78941782
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
SMILESCOc1cc(OC)cc(Oc2ccc([C@@H](C)O)cc2)c1
InChIInChI=1S/C16H18O4/c1-11(17)12-4-6-13(7-5-12)20-16-9-14(18-2)8-15(10-16)19-3/h4-11,17H,1-3H3/t11-/m1/s1
InChIKeyLIIKGPFKJUEEBT-LLVKDONJSA-N
XLogP3.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
CID 175713586
CID 175713586
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 78938156
1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol
CID 158169844
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 64600997
4-[4-(1-hydroxyethyl)phenoxy]-3-methoxybenzonitrile
CID 43506373
1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol
CID 70467453
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol (CID 78941782) is (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol is COc1cc(OC)cc(Oc2ccc([C@@H](C)O)cc2)c1.
What is the InChIKey of (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol?
The InChIKey is LIIKGPFKJUEEBT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18O4/c1-11(17)12-4-6-13(7-5-12)20-16-9-14(18-2)8-15(10-16)19-3/h4-11,17H,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol?
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol has a molecular weight of 274.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol is sourced from PubChem (CID 78941782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).