methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate

C14H20O3 — CID 67298001

IUPACmethyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
SMILESCC[C@@H](c1cccc(OC)c1)[C@@H](C)C(=O)OC
InChIInChI=1S/C14H20O3/c1-5-13(10(2)14(15)17-4)11-7-6-8-12(9-11)16-3/h6-10,13H,5H2,1-4H3/t10-,13-/m1/s1
InChIKeyADSAKWBEQAASIF-ZWNOBZJWSA-N
MW236.31 g/mol
LogP3.00
Rot. Bonds5

About methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate

methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate (PubChem CID 67298001) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
PubChem CID67298001
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
SMILESCC[C@@H](c1cccc(OC)c1)[C@@H](C)C(=O)OC
InChIInChI=1S/C14H20O3/c1-5-13(10(2)14(15)17-4)11-7-6-8-12(9-11)16-3/h6-10,13H,5H2,1-4H3/t10-,13-/m1/s1
InChIKeyADSAKWBEQAASIF-ZWNOBZJWSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
CID 71250291
(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
CID 140960898
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60786504
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
[(2R,3R)-3-(3-methoxyphenyl)-2-methylpentyl]-dimethylazanium
CID 86313247
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
(2S,3S)-2-methyl-3-(3-propoxyphenyl)pentanoic acid
CID 125467992
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate?
The IUPAC name of methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate (CID 67298001) is methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate.
What is the SMILES notation for methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate?
The canonical SMILES for methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate is CC[C@@H](c1cccc(OC)c1)[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate?
The InChIKey is ADSAKWBEQAASIF-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-13(10(2)14(15)17-4)11-7-6-8-12(9-11)16-3/h6-10,13H,5H2,1-4H3/t10-,13-/m1/s1.
What are the key properties of methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate?
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate has a molecular weight of 236.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate is sourced from PubChem (CID 67298001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).