(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid

C20H24O4 — CID 124564524

IUPAC(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid
SMILESCc1ccccc1COc1ccc([C@@H](CC(=O)O)OC(C)C)cc1
InChIInChI=1S/C20H24O4/c1-14(2)24-19(12-20(21)22)16-8-10-18(11-9-16)23-13-17-7-5-4-6-15(17)3/h4-11,14,19H,12-13H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyYUAUQEWYTZKUCV-LJQANCHMSA-N
MW328.41 g/mol
LogP4.51
Rot. Bonds8

About (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid

(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid (PubChem CID 124564524) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid
PubChem CID124564524
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid
SMILESCc1ccccc1COc1ccc([C@@H](CC(=O)O)OC(C)C)cc1
InChIInChI=1S/C20H24O4/c1-14(2)24-19(12-20(21)22)16-8-10-18(11-9-16)23-13-17-7-5-4-6-15(17)3/h4-11,14,19H,12-13H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyYUAUQEWYTZKUCV-LJQANCHMSA-N
XLogP4.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 123243289
3-[4-[(2-methylphenyl)methoxy]phenyl]hex-4-ynoic acid
CID 16726098
2-[4-[(2-methylphenyl)methoxy]phenyl]-4-oxobutanoic acid
CID 87985760
2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
CID 115462467
3-ethoxy-3-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]propanoic acid
CID 122185441
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
3-methyl-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylamino]butanoic acid
CID 66528504
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 51350137
3-[4-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-ethoxypropanoic acid
CID 67058088
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid?
The IUPAC name of (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid (CID 124564524) is (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid.
What is the SMILES notation for (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid?
The canonical SMILES for (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid is Cc1ccccc1COc1ccc([C@@H](CC(=O)O)OC(C)C)cc1.
What is the InChIKey of (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid?
The InChIKey is YUAUQEWYTZKUCV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24O4/c1-14(2)24-19(12-20(21)22)16-8-10-18(11-9-16)23-13-17-7-5-4-6-15(17)3/h4-11,14,19H,12-13H2,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid?
(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid is sourced from PubChem (CID 124564524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).