ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate

C19H18O3 — CID 89411934

IUPACethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(C=O)cc3)cc2)CC1
InChIInChI=1S/C19H18O3/c1-2-22-18(21)19(11-12-19)17-9-7-16(8-10-17)15-5-3-14(13-20)4-6-15/h3-10,13H,2,11-12H2,1H3
InChIKeyDYRSPAWDYYRJRQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.76
Rot. Bonds5

About ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 89411934) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
PubChem CID89411934
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Nameethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(C=O)cc3)cc2)CC1
InChIInChI=1S/C19H18O3/c1-2-22-18(21)19(11-12-19)17-9-7-16(8-10-17)15-5-3-14(13-20)4-6-15/h3-10,13H,2,11-12H2,1H3
InChIKeyDYRSPAWDYYRJRQ-UHFFFAOYSA-N
XLogP3.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
methyl 1-[4-[4-(3-ethoxy-3-oxopropanoyl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 71265459
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179
ethyl 1-[4-[4-(3-methyl-4-pentyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 66579962
ethyl 1-[4-[4-[4-(methoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 67523518
ethyl 1-[4-[4-[4-(4-hydroxybutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578237
ethyl 1-[4-[4-(3-formylthiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]cyclopropane-1-carboxylate
CID 144984330
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate (CID 89411934) is ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(-c3ccc(C=O)cc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is DYRSPAWDYYRJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-22-18(21)19(11-12-19)17-9-7-16(8-10-17)15-5-3-14(13-20)4-6-15/h3-10,13H,2,11-12H2,1H3.
What are the key properties of ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate?
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 89411934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).