benzylphosphane;phenoxybenzene;hydrobromide

C19H20BrOP — CID 174878285

IUPACbenzylphosphane;phenoxybenzene;hydrobromide
SMILESBr.PCc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C7H9P.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7;/h1-10H;1-5H,6,8H2;1H
InChIKeyYUJQGELMRIXKCO-UHFFFAOYSA-N
MW375.25 g/mol
LogP6.12
Rot. Bonds3

About benzylphosphane;phenoxybenzene;hydrobromide

benzylphosphane;phenoxybenzene;hydrobromide (PubChem CID 174878285) has the molecular formula C19H20BrOP and a molecular weight of 375.25 g/mol. Its IUPAC name is benzylphosphane;phenoxybenzene;hydrobromide.

Molecular Properties

Compound Namebenzylphosphane;phenoxybenzene;hydrobromide
PubChem CID174878285
Molecular FormulaC19H20BrOP
Molecular Weight375.25 g/mol
Exact Mass374.04
IUPAC Namebenzylphosphane;phenoxybenzene;hydrobromide
SMILESBr.PCc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C7H9P.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7;/h1-10H;1-5H,6,8H2;1H
InChIKeyYUJQGELMRIXKCO-UHFFFAOYSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.25
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzylphosphane;phenoxybenzene;hydrobromide 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

(3-phenoxyphenyl)methylphosphane
CID 70930904
CID 173452029
CID 173452029
benzylphosphane;phosphane;trihydrochloride
CID 173267538
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium;hydride;phenoxybenzene
CID 173391576
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
ethane;phenoxybenzene;propane
CID 90923491
oxophosphanium;phenoxybenzene
CID 161329594
isocyanic acid;phenoxybenzene
CID 174909585
CID 163958367
CID 163958367

Frequently Asked Questions

What is the IUPAC name of benzylphosphane;phenoxybenzene;hydrobromide?
The IUPAC name of benzylphosphane;phenoxybenzene;hydrobromide (CID 174878285) is benzylphosphane;phenoxybenzene;hydrobromide.
What is the SMILES notation for benzylphosphane;phenoxybenzene;hydrobromide?
The canonical SMILES for benzylphosphane;phenoxybenzene;hydrobromide is Br.PCc1ccccc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of benzylphosphane;phenoxybenzene;hydrobromide?
The InChIKey is YUJQGELMRIXKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C7H9P.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7;/h1-10H;1-5H,6,8H2;1H.
What are the key properties of benzylphosphane;phenoxybenzene;hydrobromide?
benzylphosphane;phenoxybenzene;hydrobromide has a molecular weight of 375.25 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylphosphane;phenoxybenzene;hydrobromide is sourced from PubChem (CID 174878285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).