(3-propoxyphenyl)borane

C9H13BO — CID 137330417

IUPAC(3-propoxyphenyl)borane
SMILESBc1cccc(OCCC)c1
InChIInChI=1S/C9H13BO/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7H,2,6,10H2,1H3
InChIKeyCTQNKBARRRWYCX-UHFFFAOYSA-N
MW148.01 g/mol
LogP0.73
Rot. Bonds3

About (3-propoxyphenyl)borane

(3-propoxyphenyl)borane (PubChem CID 137330417) has the molecular formula C9H13BO and a molecular weight of 148.01 g/mol. Its IUPAC name is (3-propoxyphenyl)borane.

Molecular Properties

Compound Name(3-propoxyphenyl)borane
PubChem CID137330417
Molecular FormulaC9H13BO
Molecular Weight148.01 g/mol
Exact Mass148.11
IUPAC Name(3-propoxyphenyl)borane
SMILESBc1cccc(OCCC)c1
InChIInChI=1S/C9H13BO/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7H,2,6,10H2,1H3
InChIKeyCTQNKBARRRWYCX-UHFFFAOYSA-N
XLogP0.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.01
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-(3-propoxyphenyl)boranuide
CID 63676814
ethoxybenzene;propoxybenzene
CID 67747691
1-(2-nitrobut-1-enyl)-3-propoxybenzene
CID 76945194
2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
1,3-dihexadecoxybenzene
CID 12686834
acetyl 3-propoxybenzoate
CID 54339605
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
N-phenyl-3-propoxyaniline
CID 71334741
N-ethylmethanimine;1-methyl-3-propoxybenzene
CID 157286038

Frequently Asked Questions

What is the IUPAC name of (3-propoxyphenyl)borane?
The IUPAC name of (3-propoxyphenyl)borane (CID 137330417) is (3-propoxyphenyl)borane.
What is the SMILES notation for (3-propoxyphenyl)borane?
The canonical SMILES for (3-propoxyphenyl)borane is Bc1cccc(OCCC)c1.
What is the InChIKey of (3-propoxyphenyl)borane?
The InChIKey is CTQNKBARRRWYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BO/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7H,2,6,10H2,1H3.
What are the key properties of (3-propoxyphenyl)borane?
(3-propoxyphenyl)borane has a molecular weight of 148.01 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxyphenyl)borane is sourced from PubChem (CID 137330417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).