methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate

C18H20O3 — CID 125467308

IUPACmethyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate
SMILESCOC(=O)CC[C@@H](Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-21-18(20)12-9-16(15-5-3-2-4-6-15)13-14-7-10-17(19)11-8-14/h2-8,10-11,16,19H,9,12-13H2,1H3/t16-/m0/s1
InChIKeyYPKFZOODBMEXQV-INIZCTEOSA-N
MW284.36 g/mol
LogP3.67
Rot. Bonds6

About methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate

methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate (PubChem CID 125467308) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate.

Molecular Properties

Compound Namemethyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate
PubChem CID125467308
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate
SMILESCOC(=O)CC[C@@H](Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-21-18(20)12-9-16(15-5-3-2-4-6-15)13-14-7-10-17(19)11-8-14/h2-8,10-11,16,19H,9,12-13H2,1H3/t16-/m0/s1
InChIKeyYPKFZOODBMEXQV-INIZCTEOSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate 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

5,6-diphenylhexan-2-one
CID 134938963
4-(4-hydroxyphenyl)-3-phenylbutanoic acid
CID 18772164
methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate
CID 170179380
methyl 5,5-diphenylpentanoate
CID 10923549
[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
CID 162451826
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
CID 168874199
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
methyl 8-amino-7-phenyloctanoate
CID 10060632
methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate
CID 10589054
methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride
CID 120705550

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate?
The IUPAC name of methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate (CID 125467308) is methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate.
What is the SMILES notation for methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate?
The canonical SMILES for methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate is COC(=O)CC[C@@H](Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate?
The InChIKey is YPKFZOODBMEXQV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20O3/c1-21-18(20)12-9-16(15-5-3-2-4-6-15)13-14-7-10-17(19)11-8-14/h2-8,10-11,16,19H,9,12-13H2,1H3/t16-/m0/s1.
What are the key properties of methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate?
methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate has a molecular weight of 284.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate is sourced from PubChem (CID 125467308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).