methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate

C17H18O3 — CID 124565179

IUPACmethyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate
SMILESCC[C@@H](C(=O)OC)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-16(17(19)20-2)14-6-4-12(5-7-14)13-8-10-15(18)11-9-13/h4-11,16,18H,3H2,1-2H3/t16-/m1/s1
InChIKeyWKPUHQSHWVSKCP-MRXNPFEDSA-N
MW270.33 g/mol
LogP3.73
Rot. Bonds4

About methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate

methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate (PubChem CID 124565179) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate
PubChem CID124565179
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate
SMILESCC[C@@H](C(=O)OC)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-16(17(19)20-2)14-6-4-12(5-7-14)13-8-10-15(18)11-9-13/h4-11,16,18H,3H2,1-2H3/t16-/m1/s1
InChIKeyWKPUHQSHWVSKCP-MRXNPFEDSA-N
XLogP3.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(1,1-difluoroethyl)phenyl]butanoate
CID 116991865
methyl 2-(4-phenoxyphenyl)butanoate
CID 141066175
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
methyl 2-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenyl]butanoate
CID 23116288
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
methyl 2-[(4-hydroxyphenyl)methyl]butanoate
CID 22988421
methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
methyl 2-[4-(difluoromethyl)phenyl]-3-hydroxypropanoate
CID 168947878
methyl 2-amino-3-(4-hydroxyphenyl)butanoate
CID 83909294
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate?
The IUPAC name of methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate (CID 124565179) is methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate.
What is the SMILES notation for methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate?
The canonical SMILES for methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate is CC[C@@H](C(=O)OC)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate?
The InChIKey is WKPUHQSHWVSKCP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-16(17(19)20-2)14-6-4-12(5-7-14)13-8-10-15(18)11-9-13/h4-11,16,18H,3H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate?
methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate has a molecular weight of 270.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate is sourced from PubChem (CID 124565179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).