dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate

C30H23ClO2 — CID 121278698

IUPACdinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
SMILESC[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C30H23ClO2/c1-20(23-14-6-7-19-28(23)31)30(32)33-29(26-17-8-12-21-10-2-4-15-24(21)26)27-18-9-13-22-11-3-5-16-25(22)27/h2-20,29H,1H3/t20-/m1/s1
InChIKeyIVGNTTOFOUPKPV-HXUWFJFHSA-N
MW450.97 g/mol
LogP8.08
Rot. Bonds5

About dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate

dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate (PubChem CID 121278698) has the molecular formula C30H23ClO2 and a molecular weight of 450.97 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
PubChem CID121278698
Molecular FormulaC30H23ClO2
Molecular Weight450.97 g/mol
Exact Mass450.14
IUPAC Namedinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
SMILESC[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C30H23ClO2/c1-20(23-14-6-7-19-28(23)31)30(32)33-29(26-17-8-12-21-10-2-4-15-24(21)26)27-18-9-13-22-11-3-5-16-25(22)27/h2-20,29H,1H3/t20-/m1/s1
InChIKeyIVGNTTOFOUPKPV-HXUWFJFHSA-N
XLogP8.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
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dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
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dinaphthalen-1-ylmethyl (2R)-2-(2-iodophenoxy)propanoate
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1-naphthalen-1-ylethyl carbamate
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propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
dinaphthalen-1-ylmethyl (2S)-2-pyrrol-1-ylpentanoate
CID 118288318
dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
CID 166440086
dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate
CID 66739257
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate?
The IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate (CID 121278698) is dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate.
What is the SMILES notation for dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate?
The canonical SMILES for dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate is C[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1Cl.
What is the InChIKey of dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate?
The InChIKey is IVGNTTOFOUPKPV-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H23ClO2/c1-20(23-14-6-7-19-28(23)31)30(32)33-29(26-17-8-12-21-10-2-4-15-24(21)26)27-18-9-13-22-11-3-5-16-25(22)27/h2-20,29H,1H3/t20-/m1/s1.
What are the key properties of dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate?
dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate has a molecular weight of 450.97 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate is sourced from PubChem (CID 121278698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).