benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate

C30H28O5 — CID 23238101

IUPACbenzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
SMILESO=C(OCc1ccccc1)C(O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C30H28O5/c31-27(30(32)35-22-25-14-8-3-9-15-25)18-26-16-17-28(33-20-23-10-4-1-5-11-23)29(19-26)34-21-24-12-6-2-7-13-24/h1-17,19,27,31H,18,20-22H2
InChIKeyXRQNXXNSNDILAM-UHFFFAOYSA-N
MW468.55 g/mol
LogP5.49
Rot. Bonds11

About benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate

benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate (PubChem CID 23238101) has the molecular formula C30H28O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
PubChem CID23238101
Molecular FormulaC30H28O5
Molecular Weight468.55 g/mol
Exact Mass468.19
IUPAC Namebenzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
SMILESO=C(OCc1ccccc1)C(O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C30H28O5/c31-27(30(32)35-22-25-14-8-3-9-15-25)18-26-16-17-28(33-20-23-10-4-1-5-11-23)29(19-26)34-21-24-12-6-2-7-13-24/h1-17,19,27,31H,18,20-22H2
InChIKeyXRQNXXNSNDILAM-UHFFFAOYSA-N
XLogP5.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate 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

benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
CID 86346378
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-propanoyloxypropanoate
CID 123604883
benzyl (2S)-3-[3,4-bis(phenylmethoxy)phenyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]propanoate
CID 165117045
2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893088
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 18627050
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
CID 54541379
3-[3,4-bis(phenylmethoxy)phenyl]-2-(dibenzylamino)propanoic acid
CID 146659614
3-hydroxy-4-oxo-4-phenylmethoxybutanoate
CID 19803271
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
(2R)-2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 70401187
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
3-chloro-4-(3-methoxy-4-phenylmethoxyphenyl)butan-2-one
CID 82185007

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate?
The IUPAC name of benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate (CID 23238101) is benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate.
What is the SMILES notation for benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate?
The canonical SMILES for benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate is O=C(OCc1ccccc1)C(O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate?
The InChIKey is XRQNXXNSNDILAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O5/c31-27(30(32)35-22-25-14-8-3-9-15-25)18-26-16-17-28(33-20-23-10-4-1-5-11-23)29(19-26)34-21-24-12-6-2-7-13-24/h1-17,19,27,31H,18,20-22H2.
What are the key properties of benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate?
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate has a molecular weight of 468.55 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate is sourced from PubChem (CID 23238101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).