methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate

C20H18O2 — CID 175165492

IUPACmethyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2-c2ccccc2)C=CC=CC1
InChIInChI=1S/C20H18O2/c1-22-19(21)20(14-8-3-9-15-20)18-13-7-6-12-17(18)16-10-4-2-5-11-16/h2-14H,15H2,1H3
InChIKeyAAIGDQXUMUVPRU-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.28
Rot. Bonds3

About methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate

methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate (PubChem CID 175165492) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate
PubChem CID175165492
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Namemethyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2-c2ccccc2)C=CC=CC1
InChIInChI=1S/C20H18O2/c1-22-19(21)20(14-8-3-9-15-20)18-13-7-6-12-17(18)16-10-4-2-5-11-16/h2-14H,15H2,1H3
InChIKeyAAIGDQXUMUVPRU-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate
CID 174872515
2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid
CID 151314460
dimethyl cyclohexa-2,4-diene-1,1-dicarboxylate
CID 12865894
dimethyl 3-(hydroxymethyl)-2-phenylindene-1,1-dicarboxylate
CID 126715852
1-(1-phenylcyclohexa-2,4-dien-1-yl)ethanone;4-pyridin-4-ylpyridine;hydrobromide
CID 174995639
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
tetramethyl 2,5-dimethyl-3,6-diphenylcyclohexa-2,5-diene-1,1,4,4-tetracarboxylate
CID 101226398
1-methoxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70161917
dimethyl 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 175230851
17-methoxycarbonylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16-carboxylic acid
CID 11152606
dimethyl 4H-naphthalene-1,1-dicarboxylate
CID 14462724
tetramethyl (8aS,8bS)-4,5-diphenyl-1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate
CID 135054695

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate (CID 175165492) is methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate is COC(=O)C1(c2ccccc2-c2ccccc2)C=CC=CC1.
What is the InChIKey of methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate?
The InChIKey is AAIGDQXUMUVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-22-19(21)20(14-8-3-9-15-20)18-13-7-6-12-17(18)16-10-4-2-5-11-16/h2-14H,15H2,1H3.
What are the key properties of methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate?
methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 175165492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).