benzyl [benzyl(butoxy)phosphoryl] carbonate

C19H23O5P — CID 174406091

IUPACbenzyl [benzyl(butoxy)phosphoryl] carbonate
SMILESCCCCOP(=O)(Cc1ccccc1)OC(=O)OCc1ccccc1
InChIInChI=1S/C19H23O5P/c1-2-3-14-23-25(21,16-18-12-8-5-9-13-18)24-19(20)22-15-17-10-6-4-7-11-17/h4-13H,2-3,14-16H2,1H3
InChIKeyPBXNDRKBQPGYKP-UHFFFAOYSA-N
MW362.36 g/mol
LogP5.55
Rot. Bonds9

About benzyl [benzyl(butoxy)phosphoryl] carbonate

benzyl [benzyl(butoxy)phosphoryl] carbonate (PubChem CID 174406091) has the molecular formula C19H23O5P and a molecular weight of 362.36 g/mol. Its IUPAC name is benzyl [benzyl(butoxy)phosphoryl] carbonate.

Molecular Properties

Compound Namebenzyl [benzyl(butoxy)phosphoryl] carbonate
PubChem CID174406091
Molecular FormulaC19H23O5P
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Namebenzyl [benzyl(butoxy)phosphoryl] carbonate
SMILESCCCCOP(=O)(Cc1ccccc1)OC(=O)OCc1ccccc1
InChIInChI=1S/C19H23O5P/c1-2-3-14-23-25(21,16-18-12-8-5-9-13-18)24-19(20)22-15-17-10-6-4-7-11-17/h4-13H,2-3,14-16H2,1H3
InChIKeyPBXNDRKBQPGYKP-UHFFFAOYSA-N
XLogP5.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.36
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl [benzyl(butoxy)phosphoryl] carbonate 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

1,4-bis(dibutoxyphosphorylmethyl)benzene
CID 101243552
butoxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 174817129
benzyl 2-butylhexanoate
CID 175287311
benzyl acetate;butyl acetate
CID 158391193
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584
benzyl 4-[butoxy(phenoxy)phosphoryl]-2-[formyl(phenylmethoxy)amino]butanoate
CID 87063348
benzyl(octoxy)phosphinic acid
CID 57273466
benzyl propanoate;butyl propanoate
CID 19966788
benzyl butyl hydrogen phosphate;phthalic acid
CID 174844496
benzyl 2-decyldodecanoate
CID 129279401
[butoxy(phenoxymethyl)phosphoryl]methylbenzene
CID 140978848
benzyl [(Z)-non-4-enyl] carbonate
CID 135274084

Frequently Asked Questions

What is the IUPAC name of benzyl [benzyl(butoxy)phosphoryl] carbonate?
The IUPAC name of benzyl [benzyl(butoxy)phosphoryl] carbonate (CID 174406091) is benzyl [benzyl(butoxy)phosphoryl] carbonate.
What is the SMILES notation for benzyl [benzyl(butoxy)phosphoryl] carbonate?
The canonical SMILES for benzyl [benzyl(butoxy)phosphoryl] carbonate is CCCCOP(=O)(Cc1ccccc1)OC(=O)OCc1ccccc1.
What is the InChIKey of benzyl [benzyl(butoxy)phosphoryl] carbonate?
The InChIKey is PBXNDRKBQPGYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O5P/c1-2-3-14-23-25(21,16-18-12-8-5-9-13-18)24-19(20)22-15-17-10-6-4-7-11-17/h4-13H,2-3,14-16H2,1H3.
What are the key properties of benzyl [benzyl(butoxy)phosphoryl] carbonate?
benzyl [benzyl(butoxy)phosphoryl] carbonate has a molecular weight of 362.36 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [benzyl(butoxy)phosphoryl] carbonate is sourced from PubChem (CID 174406091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).