methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate

C12H12O4 — CID 97034337

IUPACmethyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C12H12O4/c1-15-11(14)12(6-7-12)16-10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyBUDMQTCJCQNHNX-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.58
Rot. Bonds4

About methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate

methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate (PubChem CID 97034337) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate
PubChem CID97034337
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Namemethyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C12H12O4/c1-15-11(14)12(6-7-12)16-10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyBUDMQTCJCQNHNX-UHFFFAOYSA-N
XLogP1.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.58
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

methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride
CID 171195077
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde
CID 65210804
tert-butyl N-[3-(4-formylphenoxy)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 168861673
ethane;methyl 4-formylbenzoate
CID 91069506
dimethyl (Z)-2-(4-formylphenoxy)but-2-enedioate
CID 102174096
(4-formylphenyl) ethaneperoxoate
CID 23111518
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl 5-(4-formylphenoxy)-2,2-dimethylpentanoate
CID 15599127
propyl 2-(4-formylphenoxy)acetate
CID 17245126

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate (CID 97034337) is methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate is COC(=O)C1(Oc2ccc(C=O)cc2)CC1.
What is the InChIKey of methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate?
The InChIKey is BUDMQTCJCQNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-15-11(14)12(6-7-12)16-10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate?
methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate has a molecular weight of 220.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate is sourced from PubChem (CID 97034337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).