[4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane

C18H29BO5 — CID 20789356

IUPAC[4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane
SMILESCCCOB(OCCC)c1ccc(OC)cc1OC1CCCCO1
InChIInChI=1S/C18H29BO5/c1-4-11-22-19(23-12-5-2)16-10-9-15(20-3)14-17(16)24-18-8-6-7-13-21-18/h9-10,14,18H,4-8,11-13H2,1-3H3
InChIKeyGARRHDDKFPMAIJ-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.15
Rot. Bonds10

About [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane

[4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane (PubChem CID 20789356) has the molecular formula C18H29BO5 and a molecular weight of 336.24 g/mol. Its IUPAC name is [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane.

Molecular Properties

Compound Name[4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane
PubChem CID20789356
Molecular FormulaC18H29BO5
Molecular Weight336.24 g/mol
Exact Mass336.21
IUPAC Name[4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane
SMILESCCCOB(OCCC)c1ccc(OC)cc1OC1CCCCO1
InChIInChI=1S/C18H29BO5/c1-4-11-22-19(23-12-5-2)16-10-9-15(20-3)14-17(16)24-18-8-6-7-13-21-18/h9-10,14,18H,4-8,11-13H2,1-3H3
InChIKeyGARRHDDKFPMAIJ-UHFFFAOYSA-N
XLogP3.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane 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

[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
2-(4-methoxyphenoxy)oxolane
CID 135060561
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
2-(2,5-dimethylphenoxy)oxane
CID 15305690
(2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane
CID 125483390
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
2-(3,4-dimethylphenoxy)oxane
CID 10987441
[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol
CID 99717398
6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline
CID 70813287
4-butyl-3-(oxan-2-yloxy)benzenesulfonic acid
CID 22157546
2-butyl-5-methoxy-3-[2-(oxan-2-yloxy)ethyl]-1H-indole
CID 15366222

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane?
The IUPAC name of [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane (CID 20789356) is [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane.
What is the SMILES notation for [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane?
The canonical SMILES for [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane is CCCOB(OCCC)c1ccc(OC)cc1OC1CCCCO1.
What is the InChIKey of [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane?
The InChIKey is GARRHDDKFPMAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BO5/c1-4-11-22-19(23-12-5-2)16-10-9-15(20-3)14-17(16)24-18-8-6-7-13-21-18/h9-10,14,18H,4-8,11-13H2,1-3H3.
What are the key properties of [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane?
[4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane has a molecular weight of 336.24 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane is sourced from PubChem (CID 20789356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).