(3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid

C20H24O3 — CID 68825042

IUPAC(3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid
SMILESCCC[C@H](CC(=O)O)c1ccc(OCc2ccccc2)c(C)c1
InChIInChI=1S/C20H24O3/c1-3-7-17(13-20(21)22)18-10-11-19(15(2)12-18)23-14-16-8-5-4-6-9-16/h4-6,8-12,17H,3,7,13-14H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyIYDDOANJXGAWLH-QGZVFWFLSA-N
MW312.41 g/mol
LogP4.93
Rot. Bonds8

About (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid

(3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid (PubChem CID 68825042) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name(3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid
PubChem CID68825042
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid
SMILESCCC[C@H](CC(=O)O)c1ccc(OCc2ccccc2)c(C)c1
InChIInChI=1S/C20H24O3/c1-3-7-17(13-20(21)22)18-10-11-19(15(2)12-18)23-14-16-8-5-4-6-9-16/h4-6,8-12,17H,3,7,13-14H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyIYDDOANJXGAWLH-QGZVFWFLSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 117495361
(3R)-5-hydroxy-3-(3-methyl-4-phenylmethoxyphenyl)pentanal
CID 11449392
(3S)-5-hydroxy-3-(3-methyl-4-phenylmethoxyphenyl)pentanal
CID 11335515
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
2,2-dichloro-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 164893082
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
3-(3-propan-2-yl-4-propoxyphenyl)hexanoic acid
CID 83958301
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838
3-(4-methylphenyl)hexanoic acid
CID 23456891
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid?
The IUPAC name of (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid (CID 68825042) is (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid.
What is the SMILES notation for (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid?
The canonical SMILES for (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid is CCC[C@H](CC(=O)O)c1ccc(OCc2ccccc2)c(C)c1.
What is the InChIKey of (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid?
The InChIKey is IYDDOANJXGAWLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-7-17(13-20(21)22)18-10-11-19(15(2)12-18)23-14-16-8-5-4-6-9-16/h4-6,8-12,17H,3,7,13-14H2,1-2H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid?
(3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid is sourced from PubChem (CID 68825042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).