(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid

C20H18O3 — CID 100525262

IUPAC(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
SMILESCc1cccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)c1
InChIInChI=1S/C20H18O3/c1-14-5-4-6-15(11-14)12-19(20(21)22)23-18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyRMULROGXPGEDGK-IBGZPJMESA-N
MW306.36 g/mol
LogP4.22
Rot. Bonds5

About (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid

(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid (PubChem CID 100525262) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
PubChem CID100525262
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
SMILESCc1cccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)c1
InChIInChI=1S/C20H18O3/c1-14-5-4-6-15(11-14)12-19(20(21)22)23-18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyRMULROGXPGEDGK-IBGZPJMESA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
(2S)-3-(3,4-dimethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100528680
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133241307
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541174
(2S)-3-(4-iodophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100535647

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The IUPAC name of (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid (CID 100525262) is (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid.
What is the SMILES notation for (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The canonical SMILES for (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid is Cc1cccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)c1.
What is the InChIKey of (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The InChIKey is RMULROGXPGEDGK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18O3/c1-14-5-4-6-15(11-14)12-19(20(21)22)23-18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid?
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid has a molecular weight of 306.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid is sourced from PubChem (CID 100525262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).