(4-ethynyl-3-methoxyphenyl) carbamate

C10H9NO3 — CID 175536967

IUPAC(4-ethynyl-3-methoxyphenyl) carbamate
SMILESC#Cc1ccc(OC(N)=O)cc1OC
InChIInChI=1S/C10H9NO3/c1-3-7-4-5-8(14-10(11)12)6-9(7)13-2/h1,4-6H,2H3,(H2,11,12)
InChIKeyGNWNAPNCZQSCRP-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.13
Rot. Bonds2

About (4-ethynyl-3-methoxyphenyl) carbamate

(4-ethynyl-3-methoxyphenyl) carbamate (PubChem CID 175536967) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (4-ethynyl-3-methoxyphenyl) carbamate.

Molecular Properties

Compound Name(4-ethynyl-3-methoxyphenyl) carbamate
PubChem CID175536967
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(4-ethynyl-3-methoxyphenyl) carbamate
SMILESC#Cc1ccc(OC(N)=O)cc1OC
InChIInChI=1S/C10H9NO3/c1-3-7-4-5-8(14-10(11)12)6-9(7)13-2/h1,4-6H,2H3,(H2,11,12)
InChIKeyGNWNAPNCZQSCRP-UHFFFAOYSA-N
XLogP1.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethynyl-3-methoxyphenyl) carbamate?
The IUPAC name of (4-ethynyl-3-methoxyphenyl) carbamate (CID 175536967) is (4-ethynyl-3-methoxyphenyl) carbamate.
What is the SMILES notation for (4-ethynyl-3-methoxyphenyl) carbamate?
The canonical SMILES for (4-ethynyl-3-methoxyphenyl) carbamate is C#Cc1ccc(OC(N)=O)cc1OC.
What is the InChIKey of (4-ethynyl-3-methoxyphenyl) carbamate?
The InChIKey is GNWNAPNCZQSCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-3-7-4-5-8(14-10(11)12)6-9(7)13-2/h1,4-6H,2H3,(H2,11,12).
What are the key properties of (4-ethynyl-3-methoxyphenyl) carbamate?
(4-ethynyl-3-methoxyphenyl) carbamate has a molecular weight of 191.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynyl-3-methoxyphenyl) carbamate is sourced from PubChem (CID 175536967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).