(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid

C32H32O4 — CID 57129437

IUPAC(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)C[C@H](O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H32O4/c33-31(22-29(32(34)35)13-7-12-24-8-3-1-4-9-24)28-16-14-26(15-17-28)27-18-20-30(21-19-27)36-23-25-10-5-2-6-11-25/h1-6,8-11,14-21,29,31,33H,7,12-13,22-23H2,(H,34,35)/t29?,31-/m0/s1
InChIKeyRMRSBTGWRQMJLR-RDFOUATCSA-N
MW480.60 g/mol
LogP7.08
Rot. Bonds12

About (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid

(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid (PubChem CID 57129437) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
PubChem CID57129437
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Name(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)C[C@H](O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H32O4/c33-31(22-29(32(34)35)13-7-12-24-8-3-1-4-9-24)28-16-14-26(15-17-28)27-18-20-30(21-19-27)36-23-25-10-5-2-6-11-25/h1-6,8-11,14-21,29,31,33H,7,12-13,22-23H2,(H,34,35)/t29?,31-/m0/s1
InChIKeyRMRSBTGWRQMJLR-RDFOUATCSA-N
XLogP7.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
2-[2-[4-(3-cyanophenyl)phenyl]ethyl]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 46244427
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
CID 70593836
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
1-[4-[3-(4-bromophenoxy)propoxy]phenyl]-4-phenylbutan-1-ol
CID 19382498

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid?
The IUPAC name of (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid (CID 57129437) is (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid?
The canonical SMILES for (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid is O=C(O)C(CCCc1ccccc1)C[C@H](O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid?
The InChIKey is RMRSBTGWRQMJLR-RDFOUATCSA-N. The full InChI is InChI=1S/C32H32O4/c33-31(22-29(32(34)35)13-7-12-24-8-3-1-4-9-24)28-16-14-26(15-17-28)27-18-20-30(21-19-27)36-23-25-10-5-2-6-11-25/h1-6,8-11,14-21,29,31,33H,7,12-13,22-23H2,(H,34,35)/t29?,31-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid?
(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid has a molecular weight of 480.60 g/mol, XLogP of 7.08, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid is sourced from PubChem (CID 57129437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).