(1R)-1-methoxy-2-phenylethanolate

C9H11O2- — CID 138975642

IUPAC(1R)-1-methoxy-2-phenylethanolate
SMILESCO[C@@H]([O-])Cc1ccccc1
InChIInChI=1S/C9H11O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/q-1/t9-/m1/s1
InChIKeyYCMUWRHSSIFYMX-SECBINFHSA-N
MW151.18 g/mol
LogP0.56
Rot. Bonds3

About (1R)-1-methoxy-2-phenylethanolate

(1R)-1-methoxy-2-phenylethanolate (PubChem CID 138975642) has the molecular formula C9H11O2- and a molecular weight of 151.18 g/mol. Its IUPAC name is (1R)-1-methoxy-2-phenylethanolate.

Molecular Properties

Compound Name(1R)-1-methoxy-2-phenylethanolate
PubChem CID138975642
Molecular FormulaC9H11O2-
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name(1R)-1-methoxy-2-phenylethanolate
SMILESCO[C@@H]([O-])Cc1ccccc1
InChIInChI=1S/C9H11O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/q-1/t9-/m1/s1
InChIKeyYCMUWRHSSIFYMX-SECBINFHSA-N
XLogP0.56
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
(1-methoxy-2-phenylethyl)-trimethylstannane
CID 121014115
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
trichloro-(1-methoxy-2-phenylethyl)silane
CID 67232088
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
2-methoxy-3-phenylpropanethioic S-acid
CID 154225885
[(2S)-2-(dimethoxymethyl)but-3-ynyl]benzene
CID 102142302
3-methoxy-4-phenylbutane-1,2-diol
CID 139743448
ethane;2-methylpropylbenzene
CID 162200929
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
2-(methoxymethoxy)propylbenzene
CID 11367357

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methoxy-2-phenylethanolate?
The IUPAC name of (1R)-1-methoxy-2-phenylethanolate (CID 138975642) is (1R)-1-methoxy-2-phenylethanolate.
What is the SMILES notation for (1R)-1-methoxy-2-phenylethanolate?
The canonical SMILES for (1R)-1-methoxy-2-phenylethanolate is CO[C@@H]([O-])Cc1ccccc1.
What is the InChIKey of (1R)-1-methoxy-2-phenylethanolate?
The InChIKey is YCMUWRHSSIFYMX-SECBINFHSA-N. The full InChI is InChI=1S/C9H11O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/q-1/t9-/m1/s1.
What are the key properties of (1R)-1-methoxy-2-phenylethanolate?
(1R)-1-methoxy-2-phenylethanolate has a molecular weight of 151.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methoxy-2-phenylethanolate is sourced from PubChem (CID 138975642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).