dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate

C23H22O5 — CID 134846640

IUPACdimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H](c1ccc(OC)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22O5/c1-26-19-12-10-16(11-13-19)20(21(22(24)27-2)23(25)28-3)18-9-8-15-6-4-5-7-17(15)14-18/h4-14,20-21H,1-3H3/t20-/m1/s1
InChIKeySGVVTKVQJSUGDN-HXUWFJFHSA-N
MW378.42 g/mol
LogP3.94
Rot. Bonds6

About dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate

dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate (PubChem CID 134846640) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
PubChem CID134846640
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Namedimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H](c1ccc(OC)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22O5/c1-26-19-12-10-16(11-13-19)20(21(22(24)27-2)23(25)28-3)18-9-8-15-6-4-5-7-17(15)14-18/h4-14,20-21H,1-3H3/t20-/m1/s1
InChIKeySGVVTKVQJSUGDN-HXUWFJFHSA-N
XLogP3.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 2-[(R)-(methoxycarbonylamino)-naphthalen-2-ylmethyl]-3-oxobutanoate
CID 23872060
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate
CID 162623015
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
dimethyl 2-[(1S)-3-tert-butylsulfanyl-1-naphthalen-2-yl-3-oxopropyl]propanedioate
CID 100977505
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate?
The IUPAC name of dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate (CID 134846640) is dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate?
The canonical SMILES for dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate is COC(=O)C(C(=O)OC)[C@H](c1ccc(OC)cc1)c1ccc2ccccc2c1.
What is the InChIKey of dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate?
The InChIKey is SGVVTKVQJSUGDN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22O5/c1-26-19-12-10-16(11-13-19)20(21(22(24)27-2)23(25)28-3)18-9-8-15-6-4-5-7-17(15)14-18/h4-14,20-21H,1-3H3/t20-/m1/s1.
What are the key properties of dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate?
dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate has a molecular weight of 378.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate is sourced from PubChem (CID 134846640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).