(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one

C23H23BrO2 — CID 2099999

IUPAC(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one
SMILESC[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H23BrO2/c1-15(22(25)16-5-9-19(10-6-16)23(2,3)4)26-21-12-8-17-13-20(24)11-7-18(17)14-21/h5-15H,1-4H3/t15-/m1/s1
InChIKeyAFSYCRXBSKOVGS-OAHLLOKOSA-N
MW411.34 g/mol
LogP6.55
Rot. Bonds4

About (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one

(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one (PubChem CID 2099999) has the molecular formula C23H23BrO2 and a molecular weight of 411.34 g/mol. Its IUPAC name is (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one
PubChem CID2099999
Molecular FormulaC23H23BrO2
Molecular Weight411.34 g/mol
Exact Mass410.09
IUPAC Name(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one
SMILESC[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H23BrO2/c1-15(22(25)16-5-9-19(10-6-16)23(2,3)4)26-21-12-8-17-13-20(24)11-7-18(17)14-21/h5-15H,1-4H3/t15-/m1/s1
InChIKeyAFSYCRXBSKOVGS-OAHLLOKOSA-N
XLogP6.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745
2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
CID 10380881
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
1-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxy]propan-1-one
CID 43800354
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
CID 114962080
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
CID 60626928

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one?
The IUPAC name of (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one (CID 2099999) is (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one?
The canonical SMILES for (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one is C[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one?
The InChIKey is AFSYCRXBSKOVGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23BrO2/c1-15(22(25)16-5-9-19(10-6-16)23(2,3)4)26-21-12-8-17-13-20(24)11-7-18(17)14-21/h5-15H,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one?
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one has a molecular weight of 411.34 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one is sourced from PubChem (CID 2099999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).