[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid

C12H14BrNO3 — CID 118524795

IUPAC[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C12H14BrNO3/c13-9-3-1-8(2-4-9)7-17-11-5-10(6-11)14-12(15)16/h1-4,10-11,14H,5-7H2,(H,15,16)
InChIKeyKMCFBMDXBQSHGF-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.76
Rot. Bonds4

About [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid

[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid (PubChem CID 118524795) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
PubChem CID118524795
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C12H14BrNO3/c13-9-3-1-8(2-4-9)7-17-11-5-10(6-11)14-12(15)16/h1-4,10-11,14H,5-7H2,(H,15,16)
InChIKeyKMCFBMDXBQSHGF-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid
CID 164920377
1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea
CID 11525463
N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide
CID 91545004
2,2,2-trichloroethyl N-(3-phenylmethoxycyclobutyl)carbamate
CID 168926737
3-[(4-bromophenyl)methoxy]azetidine
CID 53409423
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate
CID 130399632
1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
CID 63458050
(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide
CID 155491744
[(1R)-3-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]cyclohexyl]carbamic acid
CID 118524831
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
methyl 4-[(4-bromophenyl)methoxy]-2-methylpyrrolidine-2-carboxylate
CID 21301004

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid (CID 118524795) is [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid is O=C(O)NC1CC(OCc2ccc(Br)cc2)C1.
What is the InChIKey of [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid?
The InChIKey is KMCFBMDXBQSHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-9-3-1-8(2-4-9)7-17-11-5-10(6-11)14-12(15)16/h1-4,10-11,14H,5-7H2,(H,15,16).
What are the key properties of [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid?
[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid has a molecular weight of 300.15 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 118524795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).