1-bromo-2-chloro-5-fluoro-4-propoxybenzene

C9H9BrClFO — CID 163198209

IUPAC1-bromo-2-chloro-5-fluoro-4-propoxybenzene
SMILESCCCOc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C9H9BrClFO/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3
InChIKeyAEDNHZVNMZOFAE-UHFFFAOYSA-N
MW267.52 g/mol
LogP4.03
Rot. Bonds3

About 1-bromo-2-chloro-5-fluoro-4-propoxybenzene

1-bromo-2-chloro-5-fluoro-4-propoxybenzene (PubChem CID 163198209) has the molecular formula C9H9BrClFO and a molecular weight of 267.52 g/mol. Its IUPAC name is 1-bromo-2-chloro-5-fluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-5-fluoro-4-propoxybenzene
PubChem CID163198209
Molecular FormulaC9H9BrClFO
Molecular Weight267.52 g/mol
Exact Mass265.95
IUPAC Name1-bromo-2-chloro-5-fluoro-4-propoxybenzene
SMILESCCCOc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C9H9BrClFO/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3
InChIKeyAEDNHZVNMZOFAE-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,4-difluoro-5-propoxybenzene
CID 125115840
4-bromo-2-fluoro-5-propoxyaniline
CID 13281431
2-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1-propoxybenzene
CID 107992219
(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
1-N-(4-bromo-2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63593287
(2,5-difluoro-4-propoxyphenyl)methanol
CID 164890870
3-(4-bromo-2,5-dichlorophenoxy)propan-1-amine
CID 107656499
1-bromo-2-chloro-4,5-difluorobenzene
CID 2773255
2-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-1-propoxybenzene
CID 104662049
4,5-dichloro-2-propoxybenzenethiol
CID 91874244
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 104662002

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-5-fluoro-4-propoxybenzene?
The IUPAC name of 1-bromo-2-chloro-5-fluoro-4-propoxybenzene (CID 163198209) is 1-bromo-2-chloro-5-fluoro-4-propoxybenzene.
What is the SMILES notation for 1-bromo-2-chloro-5-fluoro-4-propoxybenzene?
The canonical SMILES for 1-bromo-2-chloro-5-fluoro-4-propoxybenzene is CCCOc1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-bromo-2-chloro-5-fluoro-4-propoxybenzene?
The InChIKey is AEDNHZVNMZOFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFO/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3.
What are the key properties of 1-bromo-2-chloro-5-fluoro-4-propoxybenzene?
1-bromo-2-chloro-5-fluoro-4-propoxybenzene has a molecular weight of 267.52 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-5-fluoro-4-propoxybenzene is sourced from PubChem (CID 163198209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).