[3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid

C12H14ClNO3 — CID 118113368

IUPAC[3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid
SMILESO=C(O)NCC1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClNO3/c13-9-1-3-10(4-2-9)17-11-5-8(6-11)7-14-12(15)16/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyCHZODBPEHJNJLV-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.77
Rot. Bonds4

About [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid

[3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid (PubChem CID 118113368) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid
PubChem CID118113368
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name[3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid
SMILESO=C(O)NCC1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClNO3/c13-9-1-3-10(4-2-9)17-11-5-8(6-11)7-14-12(15)16/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyCHZODBPEHJNJLV-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid
CID 170716508
(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate
CID 141050189
[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid
CID 174110180
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
(1S,5R)-3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid
CID 138597456
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99829031
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
3-(4-chlorophenoxy)cyclohexan-1-ol
CID 123350797
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid?
The IUPAC name of [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid (CID 118113368) is [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid.
What is the SMILES notation for [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid?
The canonical SMILES for [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid is O=C(O)NCC1CC(Oc2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid?
The InChIKey is CHZODBPEHJNJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-1-3-10(4-2-9)17-11-5-8(6-11)7-14-12(15)16/h1-4,8,11,14H,5-7H2,(H,15,16).
What are the key properties of [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid?
[3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid has a molecular weight of 255.70 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid is sourced from PubChem (CID 118113368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).