(2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid

C30H23BrO2 — CID 121278721

IUPAC(2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid
SMILESC[C@](C(=O)O)(c1ccccc1Br)C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C30H23BrO2/c1-30(29(32)33,26-18-6-7-19-27(26)31)28(24-16-8-12-20-10-2-4-14-22(20)24)25-17-9-13-21-11-3-5-15-23(21)25/h2-19,28H,1H3,(H,32,33)/t30-/m0/s1
InChIKeyXYNLNBOTTKYGNJ-PMERELPUSA-N
MW495.42 g/mol
LogP7.93
Rot. Bonds5

About (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid

(2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid (PubChem CID 121278721) has the molecular formula C30H23BrO2 and a molecular weight of 495.42 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid
PubChem CID121278721
Molecular FormulaC30H23BrO2
Molecular Weight495.42 g/mol
Exact Mass494.09
IUPAC Name(2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid
SMILESC[C@](C(=O)O)(c1ccccc1Br)C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C30H23BrO2/c1-30(29(32)33,26-18-6-7-19-27(26)31)28(24-16-8-12-20-10-2-4-14-22(20)24)25-17-9-13-21-11-3-5-15-23(21)25/h2-19,28H,1H3,(H,32,33)/t30-/m0/s1
InChIKeyXYNLNBOTTKYGNJ-PMERELPUSA-N
XLogP7.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.42
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3,3-dinaphthalen-1-yl-2-phenanthren-9-ylpropanoic acid
CID 121278690
(2R)-2-methyl-3,3-dinaphthalen-1-yl-2-thiophen-3-ylpropanoic acid
CID 121278715
2-(1,3-benzodioxol-5-yl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid
CID 121278678
3-naphthalen-1-ylbutanoic acid
CID 43211329
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
2-cyano-2-[(2,6-dimethylphenyl)-naphthalen-1-ylmethyl]-3,3-dimethylbutanoic acid
CID 69132969
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
(2R)-2-[amino(naphthalen-1-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57350241
2,3-dinaphthalen-1-yl-2-sulfobutanedioic acid
CID 88780803

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid?
The IUPAC name of (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid (CID 121278721) is (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid?
The canonical SMILES for (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid is C[C@](C(=O)O)(c1ccccc1Br)C(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid?
The InChIKey is XYNLNBOTTKYGNJ-PMERELPUSA-N. The full InChI is InChI=1S/C30H23BrO2/c1-30(29(32)33,26-18-6-7-19-27(26)31)28(24-16-8-12-20-10-2-4-14-22(20)24)25-17-9-13-21-11-3-5-15-23(21)25/h2-19,28H,1H3,(H,32,33)/t30-/m0/s1.
What are the key properties of (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid?
(2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid has a molecular weight of 495.42 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid is sourced from PubChem (CID 121278721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).