[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate

C11H12ClNO3 — CID 175148334

IUPAC[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate
SMILESNC(=O)OCC1CC1c1cc(Cl)ccc1O
InChIInChI=1S/C11H12ClNO3/c12-7-1-2-10(14)9(4-7)8-3-6(8)5-16-11(13)15/h1-2,4,6,8,14H,3,5H2,(H2,13,15)
InChIKeyKGKIMOHUAOJLDY-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.24
Rot. Bonds3

About [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate

[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate (PubChem CID 175148334) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate.

Molecular Properties

Compound Name[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate
PubChem CID175148334
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate
SMILESNC(=O)OCC1CC1c1cc(Cl)ccc1O
InChIInChI=1S/C11H12ClNO3/c12-7-1-2-10(14)9(4-7)8-3-6(8)5-16-11(13)15/h1-2,4,6,8,14H,3,5H2,(H2,13,15)
InChIKeyKGKIMOHUAOJLDY-UHFFFAOYSA-N
XLogP2.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate?
The IUPAC name of [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate (CID 175148334) is [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate.
What is the SMILES notation for [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate?
The canonical SMILES for [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate is NC(=O)OCC1CC1c1cc(Cl)ccc1O.
What is the InChIKey of [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate?
The InChIKey is KGKIMOHUAOJLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-7-1-2-10(14)9(4-7)8-3-6(8)5-16-11(13)15/h1-2,4,6,8,14H,3,5H2,(H2,13,15).
What are the key properties of [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate?
[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate has a molecular weight of 241.67 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate is sourced from PubChem (CID 175148334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).