1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene

C14H17BrClFO2 — CID 103557900

IUPAC1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Cl)CC1(OC)CCC1
InChIInChI=1S/C14H17BrClFO2/c1-18-13-7-12(17)10(15)6-9(13)11(16)8-14(19-2)4-3-5-14/h6-7,11H,3-5,8H2,1-2H3
InChIKeyDWTVWMACNZSJDR-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.84
Rot. Bonds5

About 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene

1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene (PubChem CID 103557900) has the molecular formula C14H17BrClFO2 and a molecular weight of 351.64 g/mol. Its IUPAC name is 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
PubChem CID103557900
Molecular FormulaC14H17BrClFO2
Molecular Weight351.64 g/mol
Exact Mass350.01
IUPAC Name1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Cl)CC1(OC)CCC1
InChIInChI=1S/C14H17BrClFO2/c1-18-13-7-12(17)10(15)6-9(13)11(16)8-14(19-2)4-3-5-14/h6-7,11H,3-5,8H2,1-2H3
InChIKeyDWTVWMACNZSJDR-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene 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

1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396453
(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 103396133
1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556380
1-bromo-5-(1-chloro-3,4,4-trimethylpentyl)-2-fluoro-4-methoxybenzene
CID 103396310
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene
CID 103557644
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557775
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396342
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1-fluoro-2-methylbenzene
CID 103557830
N-[1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556382
1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
CID 103396544
1-bromo-5-[chloro-(2,4,6-trifluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396173

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene (CID 103557900) is 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene is COc1cc(F)c(Br)cc1C(Cl)CC1(OC)CCC1.
What is the InChIKey of 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene?
The InChIKey is DWTVWMACNZSJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFO2/c1-18-13-7-12(17)10(15)6-9(13)11(16)8-14(19-2)4-3-5-14/h6-7,11H,3-5,8H2,1-2H3.
What are the key properties of 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene?
1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene has a molecular weight of 351.64 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 103557900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).