[4-(dimethoxymethyl)phenyl] carbamate

C10H13NO4 — CID 174943505

IUPAC[4-(dimethoxymethyl)phenyl] carbamate
SMILESCOC(OC)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C10H13NO4/c1-13-9(14-2)7-3-5-8(6-4-7)15-10(11)12/h3-6,9H,1-2H3,(H2,11,12)
InChIKeyNKXZJIMFTBVAIA-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.44
Rot. Bonds4

About [4-(dimethoxymethyl)phenyl] carbamate

[4-(dimethoxymethyl)phenyl] carbamate (PubChem CID 174943505) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is [4-(dimethoxymethyl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(dimethoxymethyl)phenyl] carbamate
PubChem CID174943505
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name[4-(dimethoxymethyl)phenyl] carbamate
SMILESCOC(OC)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C10H13NO4/c1-13-9(14-2)7-3-5-8(6-4-7)15-10(11)12/h3-6,9H,1-2H3,(H2,11,12)
InChIKeyNKXZJIMFTBVAIA-UHFFFAOYSA-N
XLogP1.44
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-ylphenyl) carbamate
CID 57008477
1-[4-(dimethoxymethyl)phenoxy]ethanol
CID 18551503
(4-acetylphenyl) carbamate;ethane
CID 163253714
(4-ethylphenyl) carbamate
CID 1269945
[4-(2-aminopropyl)phenyl] carbamate
CID 57045083
[4-[(2R)-2-aminopropyl]phenyl] carbamate
CID 66608683
[4-(methylcarbamoyl)phenyl] carbamate
CID 20789580
methyl 2-[4-(dimethoxymethyl)phenyl]sulfanylpropanoate
CID 113384609
[4-(4-bromophenyl)phenyl] carbamate
CID 151826430
(4-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
butane;phenyl carbamate
CID 145076324
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
CID 174666755

Frequently Asked Questions

What is the IUPAC name of [4-(dimethoxymethyl)phenyl] carbamate?
The IUPAC name of [4-(dimethoxymethyl)phenyl] carbamate (CID 174943505) is [4-(dimethoxymethyl)phenyl] carbamate.
What is the SMILES notation for [4-(dimethoxymethyl)phenyl] carbamate?
The canonical SMILES for [4-(dimethoxymethyl)phenyl] carbamate is COC(OC)c1ccc(OC(N)=O)cc1.
What is the InChIKey of [4-(dimethoxymethyl)phenyl] carbamate?
The InChIKey is NKXZJIMFTBVAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-13-9(14-2)7-3-5-8(6-4-7)15-10(11)12/h3-6,9H,1-2H3,(H2,11,12).
What are the key properties of [4-(dimethoxymethyl)phenyl] carbamate?
[4-(dimethoxymethyl)phenyl] carbamate has a molecular weight of 211.22 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethoxymethyl)phenyl] carbamate is sourced from PubChem (CID 174943505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).