dioxido-(4-propoxyphenoxy)borane

C9H11BO4-2 — CID 86756777

IUPACdioxido-(4-propoxyphenoxy)borane
SMILESCCCOc1ccc(OB([O-])[O-])cc1
InChIInChI=1S/C9H11BO4/c1-2-7-13-8-3-5-9(6-4-8)14-10(11)12/h3-6H,2,7H2,1H3/q-2
InChIKeyWHCIMUPJBPYZNN-UHFFFAOYSA-N
MW194.00 g/mol
LogP-0.44
Rot. Bonds5

About dioxido-(4-propoxyphenoxy)borane

dioxido-(4-propoxyphenoxy)borane (PubChem CID 86756777) has the molecular formula C9H11BO4-2 and a molecular weight of 194.00 g/mol. Its IUPAC name is dioxido-(4-propoxyphenoxy)borane.

Molecular Properties

Compound Namedioxido-(4-propoxyphenoxy)borane
PubChem CID86756777
Molecular FormulaC9H11BO4-2
Molecular Weight194.00 g/mol
Exact Mass194.08
IUPAC Namedioxido-(4-propoxyphenoxy)borane
SMILESCCCOc1ccc(OB([O-])[O-])cc1
InChIInChI=1S/C9H11BO4/c1-2-7-13-8-3-5-9(6-4-8)14-10(11)12/h3-6H,2,7H2,1H3/q-2
InChIKeyWHCIMUPJBPYZNN-UHFFFAOYSA-N
XLogP-0.44
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.00
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dioxido-[4-(2-propoxyethoxy)phenoxy]borane
CID 86756814
CID 57452703
CID 57452703
(4-hydroxyphenyl) (4-propoxyphenyl) carbonate
CID 57144136
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
sodium;hydride;4-propoxybenzenethiol
CID 175496916
1,4-dipentoxybenzene
CID 18314717
CID 57451037
CID 57451037
(4-decoxyphenoxy)boronic acid
CID 54526800
(4-pentadecoxyphenoxy)boronic acid
CID 142763909
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500

Frequently Asked Questions

What is the IUPAC name of dioxido-(4-propoxyphenoxy)borane?
The IUPAC name of dioxido-(4-propoxyphenoxy)borane (CID 86756777) is dioxido-(4-propoxyphenoxy)borane.
What is the SMILES notation for dioxido-(4-propoxyphenoxy)borane?
The canonical SMILES for dioxido-(4-propoxyphenoxy)borane is CCCOc1ccc(OB([O-])[O-])cc1.
What is the InChIKey of dioxido-(4-propoxyphenoxy)borane?
The InChIKey is WHCIMUPJBPYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO4/c1-2-7-13-8-3-5-9(6-4-8)14-10(11)12/h3-6H,2,7H2,1H3/q-2.
What are the key properties of dioxido-(4-propoxyphenoxy)borane?
dioxido-(4-propoxyphenoxy)borane has a molecular weight of 194.00 g/mol, XLogP of -0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-(4-propoxyphenoxy)borane is sourced from PubChem (CID 86756777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).