[5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate

C14H19NO4 — CID 175140614

IUPAC[5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate
SMILESCC(C)(CCCOc1ccc(C=O)cc1)OC(N)=O
InChIInChI=1S/C14H19NO4/c1-14(2,19-13(15)17)8-3-9-18-12-6-4-11(10-16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,15,17)
InChIKeyNVJAQSSWWLTNJT-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.53
Rot. Bonds7

About [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate

[5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate (PubChem CID 175140614) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate
PubChem CID175140614
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate
SMILESCC(C)(CCCOc1ccc(C=O)cc1)OC(N)=O
InChIInChI=1S/C14H19NO4/c1-14(2,19-13(15)17)8-3-9-18-12-6-4-11(10-16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,15,17)
InChIKeyNVJAQSSWWLTNJT-UHFFFAOYSA-N
XLogP2.53
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(4-formylphenoxy)-2,2-dimethylpentanoate
CID 15599127
4-(4-formylphenoxy)butanehydrazide
CID 63568719
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
N-[3-(4-formylphenoxy)propyl]acetamide
CID 82037091
5-(4-formylphenoxy)pentanehydrazide
CID 63569079
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
[1-[4-(3-bromopropoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 175277508
4-(2,2,3-trimethylbutoxy)benzaldehyde
CID 166913587
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
propyl 2-(4-formylphenoxy)acetate
CID 17245126

Frequently Asked Questions

What is the IUPAC name of [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate?
The IUPAC name of [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate (CID 175140614) is [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate.
What is the SMILES notation for [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate?
The canonical SMILES for [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate is CC(C)(CCCOc1ccc(C=O)cc1)OC(N)=O.
What is the InChIKey of [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate?
The InChIKey is NVJAQSSWWLTNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,19-13(15)17)8-3-9-18-12-6-4-11(10-16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,15,17).
What are the key properties of [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate?
[5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate is sourced from PubChem (CID 175140614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).