[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate

C35H28O4 — CID 158858330

IUPAC[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate
SMILESCc1ccc2c(c1)C(C(=O)O[C@H](Cc1ccc3ccccc3c1)C(=O)OCc1ccccc1)c1ccccc1-2
InChIInChI=1S/C35H28O4/c1-23-15-18-29-28-13-7-8-14-30(28)33(31(29)19-23)35(37)39-32(34(36)38-22-24-9-3-2-4-10-24)21-25-16-17-26-11-5-6-12-27(26)20-25/h2-20,32-33H,21-22H2,1H3/t32-,33?/m1/s1
InChIKeyJAIOJYJFQLDCNE-KWRHIPAJSA-N
MW512.61 g/mol
LogP7.16
Rot. Bonds7

About [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate

[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate (PubChem CID 158858330) has the molecular formula C35H28O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate.

Molecular Properties

Compound Name[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate
PubChem CID158858330
Molecular FormulaC35H28O4
Molecular Weight512.61 g/mol
Exact Mass512.20
IUPAC Name[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate
SMILESCc1ccc2c(c1)C(C(=O)O[C@H](Cc1ccc3ccccc3c1)C(=O)OCc1ccccc1)c1ccccc1-2
InChIInChI=1S/C35H28O4/c1-23-15-18-29-28-13-7-8-14-30(28)33(31(29)19-23)35(37)39-32(34(36)38-22-24-9-3-2-4-10-24)21-25-16-17-26-11-5-6-12-27(26)20-25/h2-20,32-33H,21-22H2,1H3/t32-,33?/m1/s1
InChIKeyJAIOJYJFQLDCNE-KWRHIPAJSA-N
XLogP7.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate 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

benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate
CID 153297044
methyl 2-methyl-9H-fluorene-9-carboxylate
CID 139254055
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate
CID 153297023
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 152848453
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-propanoyloxypropanoate
CID 123604883
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 155905592
benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669
benzyl (2S)-2-acetyloxy-3-(3,4-diacetyloxyphenyl)propanoate
CID 141329588
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
(2R)-2-(3,5-dimethylbenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
CID 152927678
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 54171762

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate?
The IUPAC name of [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate (CID 158858330) is [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate.
What is the SMILES notation for [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate?
The canonical SMILES for [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate is Cc1ccc2c(c1)C(C(=O)O[C@H](Cc1ccc3ccccc3c1)C(=O)OCc1ccccc1)c1ccccc1-2.
What is the InChIKey of [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate?
The InChIKey is JAIOJYJFQLDCNE-KWRHIPAJSA-N. The full InChI is InChI=1S/C35H28O4/c1-23-15-18-29-28-13-7-8-14-30(28)33(31(29)19-23)35(37)39-32(34(36)38-22-24-9-3-2-4-10-24)21-25-16-17-26-11-5-6-12-27(26)20-25/h2-20,32-33H,21-22H2,1H3/t32-,33?/m1/s1.
What are the key properties of [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate?
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate has a molecular weight of 512.61 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate is sourced from PubChem (CID 158858330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).