(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate

C19H18O4 — CID 140969500

IUPAC(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCc2cccc(Oc3ccccc3)c2)CC1C=O
InChIInChI=1S/C19H18O4/c1-19(11-15(19)12-20)18(21)22-13-14-6-5-9-17(10-14)23-16-7-3-2-4-8-16/h2-10,12,15H,11,13H2,1H3
InChIKeyJQPXOAKBBTWCAD-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.75
Rot. Bonds6

About (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate

(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate (PubChem CID 140969500) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate
PubChem CID140969500
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCc2cccc(Oc3ccccc3)c2)CC1C=O
InChIInChI=1S/C19H18O4/c1-19(11-15(19)12-20)18(21)22-13-14-6-5-9-17(10-14)23-16-7-3-2-4-8-16/h2-10,12,15H,11,13H2,1H3
InChIKeyJQPXOAKBBTWCAD-UHFFFAOYSA-N
XLogP3.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-phenoxyphenyl)methyl (E)-2-methylbut-2-enoate
CID 91740752
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
3-[(1S,3R)-2,2-dimethyl-3-[(3-phenoxyphenyl)methoxycarbonyl]cyclopropyl]prop-2-enoic acid
CID 54325367
(3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
CID 56983106
cis-(3-phenoxyphenyl)methyl (1R,3R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88742789
(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 42640558
(3-phenoxyphenyl)methyl 2,2-dichloro-1-(4-nitrophenyl)cyclopropane-1-carboxylate
CID 86278697
(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216143
(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762798
(3-phenoxyphenyl)methyl (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate
CID 101353568
(3-phenoxyphenyl)methyl (1S)-3-[(cyclopentyloxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
CID 57010630
(3-phenoxyphenyl)methyl 3-(1-cyano-2-phenylethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54012056

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate?
The IUPAC name of (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate (CID 140969500) is (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate is CC1(C(=O)OCc2cccc(Oc3ccccc3)c2)CC1C=O.
What is the InChIKey of (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate?
The InChIKey is JQPXOAKBBTWCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-19(11-15(19)12-20)18(21)22-13-14-6-5-9-17(10-14)23-16-7-3-2-4-8-16/h2-10,12,15H,11,13H2,1H3.
What are the key properties of (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate?
(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 140969500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).