trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid

C28H24O4 — CID 146488905

IUPACtrans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1[C@@H](c2ccccc2)C(C(=O)OC2=Cc3ccccc3CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C28H24O4/c29-27(30)25-23(19-10-3-1-4-11-19)26(24(25)20-12-5-2-6-13-20)28(31)32-22-16-15-18-9-7-8-14-21(18)17-22/h1-14,17,23-26H,15-16H2,(H,29,30)/t23-,24-,25?,26?/m1/s1
InChIKeyJBUJOBSYPOKEHT-TYPLQMOASA-N
MW424.50 g/mol
LogP5.42
Rot. Bonds5

About trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid

trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid (PubChem CID 146488905) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
PubChem CID146488905
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Nametrans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1[C@@H](c2ccccc2)C(C(=O)OC2=Cc3ccccc3CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C28H24O4/c29-27(30)25-23(19-10-3-1-4-11-19)26(24(25)20-12-5-2-6-13-20)28(31)32-22-16-15-18-9-7-8-14-21(18)17-22/h1-14,17,23-26H,15-16H2,(H,29,30)/t23-,24-,25?,26?/m1/s1
InChIKeyJBUJOBSYPOKEHT-TYPLQMOASA-N
XLogP5.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid 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

3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate
CID 102590647
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
(2R)-3-naphthalen-1-yloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 158508632
cis-(2R,4S)-2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
CID 2275150
trans-(2S,4S)-3-(2-hydroxyethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 7438662
trans-(2R,4R)-2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
CID 2275154
trans-(2S,4S)-3-[2-(4-isocyanophenyl)phenoxy]carbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 170520694
2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid
CID 123842840
3-butoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 171979757
trans-(2R,4R)-3-hexoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 7375089
trans-(2R,4R)-3-[(4-bromophenyl)methoxycarbonyl]-2,4-diphenylcyclobutane-1-carboxylic acid
CID 156666228
trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 1150738

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The IUPAC name of trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid (CID 146488905) is trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid is O=C(O)C1[C@@H](c2ccccc2)C(C(=O)OC2=Cc3ccccc3CC2)[C@@H]1c1ccccc1.
What is the InChIKey of trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The InChIKey is JBUJOBSYPOKEHT-TYPLQMOASA-N. The full InChI is InChI=1S/C28H24O4/c29-27(30)25-23(19-10-3-1-4-11-19)26(24(25)20-12-5-2-6-13-20)28(31)32-22-16-15-18-9-7-8-14-21(18)17-22/h1-14,17,23-26H,15-16H2,(H,29,30)/t23-,24-,25?,26?/m1/s1.
What are the key properties of trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid has a molecular weight of 424.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 146488905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).