(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol

C11H16O4 — CID 65364454

IUPAC(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
SMILESCOCOc1ccc([C@@H](C)O)cc1OC
InChIInChI=1S/C11H16O4/c1-8(12)9-4-5-10(15-7-13-2)11(6-9)14-3/h4-6,8,12H,7H2,1-3H3/t8-/m1/s1
InChIKeySZOIPXFHOBTSFQ-MRVPVSSYSA-N
MW212.24 g/mol
LogP1.73
Rot. Bonds5

About (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol

(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol (PubChem CID 65364454) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
PubChem CID65364454
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
SMILESCOCOc1ccc([C@@H](C)O)cc1OC
InChIInChI=1S/C11H16O4/c1-8(12)9-4-5-10(15-7-13-2)11(6-9)14-3/h4-6,8,12H,7H2,1-3H3/t8-/m1/s1
InChIKeySZOIPXFHOBTSFQ-MRVPVSSYSA-N
XLogP1.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-ol
CID 125478495
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
CID 104928930
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 43503877
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
CID 78931308

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol (CID 65364454) is (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol is COCOc1ccc([C@@H](C)O)cc1OC.
What is the InChIKey of (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol?
The InChIKey is SZOIPXFHOBTSFQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(12)9-4-5-10(15-7-13-2)11(6-9)14-3/h4-6,8,12H,7H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol?
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol has a molecular weight of 212.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 65364454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).