[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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Related Compounds

[2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate
CID 175358562
4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 18653092
2-(5-aminopyrazolidin-3-yl)-4-chlorophenol
CID 164643618
2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol
CID 130889443
3-bromo-2-methylprop-1-ene;tert-butyl N-[[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[5-chloro-2-(2-methylprop-2-enoxy)phenyl]cyclopropyl]methyl]carbamate;[2-[5-chloro-2-(2-methylprop-2-enoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 162224320
[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
CID 94557667
trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide
CID 171758399
(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 130889049
[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
CID 122442261
2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid
CID 5003520
[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733759
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730

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).