(2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid

C21H26O5 — CID 140971437

IUPAC(2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid
SMILESCOc1ccc(C[C@](O)(CCCCc2ccccc2)C(=O)O)c(OC)c1
InChIInChI=1S/C21H26O5/c1-25-18-12-11-17(19(14-18)26-2)15-21(24,20(22)23)13-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,24H,6-7,10,13,15H2,1-2H3,(H,22,23)/t21-/m1/s1
InChIKeyHUGYWLCKBCAQIW-OAQYLSRUSA-N
MW358.43 g/mol
LogP3.47
Rot. Bonds10

About (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid

(2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid (PubChem CID 140971437) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid
PubChem CID140971437
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Name(2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid
SMILESCOc1ccc(C[C@](O)(CCCCc2ccccc2)C(=O)O)c(OC)c1
InChIInChI=1S/C21H26O5/c1-25-18-12-11-17(19(14-18)26-2)15-21(24,20(22)23)13-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,24H,6-7,10,13,15H2,1-2H3,(H,22,23)/t21-/m1/s1
InChIKeyHUGYWLCKBCAQIW-OAQYLSRUSA-N
XLogP3.47
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 66960054
2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid
CID 150251513
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
CID 9101509
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
2-cyano-3-(2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 82131291
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883595
7-(2,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)heptan-3-one
CID 150776440

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid?
The IUPAC name of (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid (CID 140971437) is (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid.
What is the SMILES notation for (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid?
The canonical SMILES for (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid is COc1ccc(C[C@](O)(CCCCc2ccccc2)C(=O)O)c(OC)c1.
What is the InChIKey of (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid?
The InChIKey is HUGYWLCKBCAQIW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26O5/c1-25-18-12-11-17(19(14-18)26-2)15-21(24,20(22)23)13-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,24H,6-7,10,13,15H2,1-2H3,(H,22,23)/t21-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid?
(2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid has a molecular weight of 358.43 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid is sourced from PubChem (CID 140971437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).