1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid

C20H22O4 — CID 90046930

IUPAC1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCOCCOCc1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C20H22O4/c1-23-12-13-24-14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(10-11-20)19(21)22/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyRRNXTAXOVWVVMF-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.63
Rot. Bonds8

About 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 90046930) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID90046930
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCOCCOCc1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C20H22O4/c1-23-12-13-24-14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(10-11-20)19(21)22/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyRRNXTAXOVWVVMF-UHFFFAOYSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 15050635
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1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid
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1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117112292
1-[4-(1,2-dimethoxyethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117446147
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
1-[4-(3-methoxypropylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912994
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 88598145
1-[4-[4-[2-(phenylmethoxycarbonylamino)cyclopenta-1,4-dien-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71265614
[1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid
CID 90046936
ethyl 1-[4-[4-(pyridin-3-ylmethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 90047724

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 90046930) is 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid is COCCOCc1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is RRNXTAXOVWVVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-23-12-13-24-14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(10-11-20)19(21)22/h2-9H,10-14H2,1H3,(H,21,22).
What are the key properties of 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 90046930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).