2-(4-formylphenoxy)propyl N-tert-butylcarbamate

C15H21NO4 — CID 140519013

IUPAC2-(4-formylphenoxy)propyl N-tert-butylcarbamate
SMILESCC(COC(=O)NC(C)(C)C)Oc1ccc(C=O)cc1
InChIInChI=1S/C15H21NO4/c1-11(10-19-14(18)16-15(2,3)4)20-13-7-5-12(9-17)6-8-13/h5-9,11H,10H2,1-4H3,(H,16,18)
InChIKeyDFLBCXYCYHPNFR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-formylphenoxy)propyl N-tert-butylcarbamate

2-(4-formylphenoxy)propyl N-tert-butylcarbamate (PubChem CID 140519013) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-formylphenoxy)propyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(4-formylphenoxy)propyl N-tert-butylcarbamate
PubChem CID140519013
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(4-formylphenoxy)propyl N-tert-butylcarbamate
SMILESCC(COC(=O)NC(C)(C)C)Oc1ccc(C=O)cc1
InChIInChI=1S/C15H21NO4/c1-11(10-19-14(18)16-15(2,3)4)20-13-7-5-12(9-17)6-8-13/h5-9,11H,10H2,1-4H3,(H,16,18)
InChIKeyDFLBCXYCYHPNFR-UHFFFAOYSA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480
2-(4-formylphenoxy)propane-1-sulfonic acid
CID 140547084
2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
CID 90840160
2-(4-formylphenoxy)-3,3-dimethylbutanoic acid
CID 87176317
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
CID 43086482
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
2-(4-formylphenoxy)-3-methoxypropanoic acid
CID 103224047
N-butan-2-yl-2-(4-formylphenoxy)propanamide
CID 43117148
2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
CID 175303197
2-[4-[1,1-bis[4-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phenyl]ethyl]phenoxy]propyl 2-methylprop-2-enoate
CID 101166414
4-[3-[4-[2-[4-[3-(4-formylphenoxy)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]benzaldehyde
CID 100967393

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)propyl N-tert-butylcarbamate?
The IUPAC name of 2-(4-formylphenoxy)propyl N-tert-butylcarbamate (CID 140519013) is 2-(4-formylphenoxy)propyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(4-formylphenoxy)propyl N-tert-butylcarbamate?
The canonical SMILES for 2-(4-formylphenoxy)propyl N-tert-butylcarbamate is CC(COC(=O)NC(C)(C)C)Oc1ccc(C=O)cc1.
What is the InChIKey of 2-(4-formylphenoxy)propyl N-tert-butylcarbamate?
The InChIKey is DFLBCXYCYHPNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(10-19-14(18)16-15(2,3)4)20-13-7-5-12(9-17)6-8-13/h5-9,11H,10H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-formylphenoxy)propyl N-tert-butylcarbamate?
2-(4-formylphenoxy)propyl N-tert-butylcarbamate has a molecular weight of 279.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)propyl N-tert-butylcarbamate is sourced from PubChem (CID 140519013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).