2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid

C16H15BrO3 — CID 103272594

IUPAC2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
SMILESO=C(O)CC1(Oc2ccc3ccccc3c2Br)CCC1
InChIInChI=1S/C16H15BrO3/c17-15-12-5-2-1-4-11(12)6-7-13(15)20-16(8-3-9-16)10-14(18)19/h1-2,4-7H,3,8-10H2,(H,18,19)
InChIKeyGHGLDMJZAUHJAW-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.38
Rot. Bonds4

About 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid

2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid (PubChem CID 103272594) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
PubChem CID103272594
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
SMILESO=C(O)CC1(Oc2ccc3ccccc3c2Br)CCC1
InChIInChI=1S/C16H15BrO3/c17-15-12-5-2-1-4-11(12)6-7-13(15)20-16(8-3-9-16)10-14(18)19/h1-2,4-7H,3,8-10H2,(H,18,19)
InChIKeyGHGLDMJZAUHJAW-UHFFFAOYSA-N
XLogP4.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,4-dibromophenoxy)cyclobutyl]acetic acid
CID 103272583
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
CID 103272411
2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
CID 103272592
2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
CID 103272356
2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
CID 103272392
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]acetic acid
CID 107722332
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730
2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
CID 103272405
1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
1-bromo-2-[[1-(bromomethyl)cyclohexyl]methoxy]naphthalene
CID 65001798
2-(1-bromonaphthalen-2-yl)oxy-3,3-dimethylbutanoic acid
CID 67007983
(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 70693146

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid (CID 103272594) is 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid is O=C(O)CC1(Oc2ccc3ccccc3c2Br)CCC1.
What is the InChIKey of 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid?
The InChIKey is GHGLDMJZAUHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c17-15-12-5-2-1-4-11(12)6-7-13(15)20-16(8-3-9-16)10-14(18)19/h1-2,4-7H,3,8-10H2,(H,18,19).
What are the key properties of 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid?
2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid has a molecular weight of 335.20 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid is sourced from PubChem (CID 103272594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).