(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid

C9H11BCl2O4 — CID 139884509

IUPAC(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid
SMILESCC(C)Oc1cc(OB(O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H11BCl2O4/c1-5(2)15-8-4-9(16-10(13)14)7(12)3-6(8)11/h3-5,13-14H,1-2H3
InChIKeyAXHORRJVCNJJGP-UHFFFAOYSA-N
MW264.90 g/mol
LogP2.13
Rot. Bonds4

About (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid

(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid (PubChem CID 139884509) has the molecular formula C9H11BCl2O4 and a molecular weight of 264.90 g/mol. Its IUPAC name is (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid.

Molecular Properties

Compound Name(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid
PubChem CID139884509
Molecular FormulaC9H11BCl2O4
Molecular Weight264.90 g/mol
Exact Mass264.01
IUPAC Name(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid
SMILESCC(C)Oc1cc(OB(O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H11BCl2O4/c1-5(2)15-8-4-9(16-10(13)14)7(12)3-6(8)11/h3-5,13-14H,1-2H3
InChIKeyAXHORRJVCNJJGP-UHFFFAOYSA-N
XLogP2.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.90
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
5-chloro-2-methoxy-4-propan-2-yloxybenzoic acid
CID 54184190
chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
CID 159749309
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188
3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
CID 14695564
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
(3-chloro-4-methoxy-5-propan-2-yloxyphenyl)boronic acid
CID 56776637

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid?
The IUPAC name of (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid (CID 139884509) is (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid.
What is the SMILES notation for (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid?
The canonical SMILES for (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid is CC(C)Oc1cc(OB(O)O)c(Cl)cc1Cl.
What is the InChIKey of (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid?
The InChIKey is AXHORRJVCNJJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BCl2O4/c1-5(2)15-8-4-9(16-10(13)14)7(12)3-6(8)11/h3-5,13-14H,1-2H3.
What are the key properties of (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid?
(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid has a molecular weight of 264.90 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid is sourced from PubChem (CID 139884509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).