3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid

C20H22O3 — CID 117495361

IUPAC3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
SMILESCc1cc(C(CC(=O)O)C2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H22O3/c1-14-11-17(18(12-20(21)22)16-7-8-16)9-10-19(14)23-13-15-5-3-2-4-6-15/h2-6,9-11,16,18H,7-8,12-13H2,1H3,(H,21,22)
InChIKeyTUZMWGXXMFRCSW-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.54
Rot. Bonds7

About 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid

3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid (PubChem CID 117495361) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
PubChem CID117495361
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
SMILESCc1cc(C(CC(=O)O)C2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H22O3/c1-14-11-17(18(12-20(21)22)16-7-8-16)9-10-19(14)23-13-15-5-3-2-4-6-15/h2-6,9-11,16,18H,7-8,12-13H2,1H3,(H,21,22)
InChIKeyTUZMWGXXMFRCSW-UHFFFAOYSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
(3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid
CID 68825042
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
(1S)-1-cyclopropyl-1-(3-phenylmethoxyphenyl)pentan-3-one
CID 147124935
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
2,2-dichloro-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 164893082
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
3-cyclopropyl-3-[3-(dimethylamino)-4-methylphenyl]propanoic acid
CID 117107841
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid (CID 117495361) is 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid is Cc1cc(C(CC(=O)O)C2CC2)ccc1OCc1ccccc1.
What is the InChIKey of 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is TUZMWGXXMFRCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-14-11-17(18(12-20(21)22)16-7-8-16)9-10-19(14)23-13-15-5-3-2-4-6-15/h2-6,9-11,16,18H,7-8,12-13H2,1H3,(H,21,22).
What are the key properties of 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid?
3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 310.39 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 117495361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).