methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate

C20H18O3 — CID 890999

IUPACmethyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(-c2ccccc2)c2ccccc2c1
InChIInChI=1S/C20H18O3/c1-14(20(21)22-2)23-17-12-16-10-6-7-11-18(16)19(13-17)15-8-4-3-5-9-15/h3-14H,1-2H3/t14-/m1/s1
InChIKeySDXJDCTZWKEZPC-CQSZACIVSA-N
MW306.36 g/mol
LogP4.45
Rot. Bonds4

About methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate

methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate (PubChem CID 890999) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate
PubChem CID890999
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namemethyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(-c2ccccc2)c2ccccc2c1
InChIInChI=1S/C20H18O3/c1-14(20(21)22-2)23-17-12-16-10-6-7-11-18(16)19(13-17)15-8-4-3-5-9-15/h3-14H,1-2H3/t14-/m1/s1
InChIKeySDXJDCTZWKEZPC-CQSZACIVSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
N,N-dimethyl-2-(4-pyridin-4-ylnaphthalen-2-yl)oxypropanamide
CID 172666857
methyl (2R)-2-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxy-2-oxo-4-phenylchromen-7-yl]oxypropanoate
CID 986794
methyl (2S)-2-[4-(2-oxochromen-3-yl)phenoxy]propanoate
CID 42155073
methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
CID 103338197
methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 5397954
ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
CID 141200416
methoxycarbonyl 2-phenoxypropanoate
CID 174370299
methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
CID 10270610
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate?
The IUPAC name of methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate (CID 890999) is methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate.
What is the SMILES notation for methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate?
The canonical SMILES for methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate is COC(=O)[C@@H](C)Oc1cc(-c2ccccc2)c2ccccc2c1.
What is the InChIKey of methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate?
The InChIKey is SDXJDCTZWKEZPC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18O3/c1-14(20(21)22-2)23-17-12-16-10-6-7-11-18(16)19(13-17)15-8-4-3-5-9-15/h3-14H,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate?
methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate has a molecular weight of 306.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate is sourced from PubChem (CID 890999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).