1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid

C18H18O4 — CID 154940980

IUPAC1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid
SMILESCc1ccc(OCc2ccccc2)c(OC2(C(=O)O)CC2)c1
InChIInChI=1S/C18H18O4/c1-13-7-8-15(21-12-14-5-3-2-4-6-14)16(11-13)22-18(9-10-18)17(19)20/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyUUEBLCLAVLXAKV-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.57
Rot. Bonds6

About 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid

1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid (PubChem CID 154940980) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid
PubChem CID154940980
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid
SMILESCc1ccc(OCc2ccccc2)c(OC2(C(=O)O)CC2)c1
InChIInChI=1S/C18H18O4/c1-13-7-8-15(21-12-14-5-3-2-4-6-14)16(11-13)22-18(9-10-18)17(19)20/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyUUEBLCLAVLXAKV-UHFFFAOYSA-N
XLogP3.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
[4-methyl-2-(4-phenylmethoxybenzoyl)oxyphenyl] 4-phenylmethoxybenzoate
CID 58741237
4-bromo-2-(5-methyl-2-phenylmethoxyphenoxy)butanoic acid
CID 154940943
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-[3-[2-(3-methylphenyl)ethoxy]-4-phenylmethoxyanilino]-1,3-dihydroindene-2-carboxylic acid
CID 143888577
1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100705123
1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid (CID 154940980) is 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid is Cc1ccc(OCc2ccccc2)c(OC2(C(=O)O)CC2)c1.
What is the InChIKey of 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid?
The InChIKey is UUEBLCLAVLXAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13-7-8-15(21-12-14-5-3-2-4-6-14)16(11-13)22-18(9-10-18)17(19)20/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid?
1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154940980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).