(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid

C25H24O5 — CID 70225759

IUPAC(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid
SMILESCOc1ccccc1COc1cccc(C(=O)[C@@H](CCC(=O)O)c2ccccc2)c1
InChIInChI=1S/C25H24O5/c1-29-23-13-6-5-10-20(23)17-30-21-12-7-11-19(16-21)25(28)22(14-15-24(26)27)18-8-3-2-4-9-18/h2-13,16,22H,14-15,17H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyXMNSOEAFDNRXEB-QFIPXVFZSA-N
MW404.46 g/mol
LogP5.11
Rot. Bonds10

About (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid

(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid (PubChem CID 70225759) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid.

Molecular Properties

Compound Name(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid
PubChem CID70225759
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid
SMILESCOc1ccccc1COc1cccc(C(=O)[C@@H](CCC(=O)O)c2ccccc2)c1
InChIInChI=1S/C25H24O5/c1-29-23-13-6-5-10-20(23)17-30-21-12-7-11-19(16-21)25(28)22(14-15-24(26)27)18-8-3-2-4-9-18/h2-13,16,22H,14-15,17H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyXMNSOEAFDNRXEB-QFIPXVFZSA-N
XLogP5.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(2-ethylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoic acid
CID 70223821
methyl 4-(4-methylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoate
CID 10668818
4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid
CID 10689868
(4S)-4-(2-methylphenyl)-5-oxo-5-[3-(thiophen-3-ylmethoxy)phenyl]pentanoic acid
CID 10692031
1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
CID 69097467
(4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid
CID 70226743
5-[3-[(3-aminophenyl)methoxy]phenyl]-4-(2-methylphenyl)-5-oxopentanoic acid
CID 22010320
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
CID 58027581
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315
4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
CID 119201351
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid?
The IUPAC name of (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid (CID 70225759) is (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid.
What is the SMILES notation for (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid?
The canonical SMILES for (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid is COc1ccccc1COc1cccc(C(=O)[C@@H](CCC(=O)O)c2ccccc2)c1.
What is the InChIKey of (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid?
The InChIKey is XMNSOEAFDNRXEB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24O5/c1-29-23-13-6-5-10-20(23)17-30-21-12-7-11-19(16-21)25(28)22(14-15-24(26)27)18-8-3-2-4-9-18/h2-13,16,22H,14-15,17H2,1H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid?
(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid has a molecular weight of 404.46 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid is sourced from PubChem (CID 70225759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).