1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid

C18H17FO3 — CID 117484065

IUPAC1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)cc(F)c1OCc1ccccc1
InChIInChI=1S/C18H17FO3/c1-12-9-14(18(7-8-18)17(20)21)10-15(19)16(12)22-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyWQSPOBKCDPFQMH-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid

1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117484065) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117484065
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)cc(F)c1OCc1ccccc1
InChIInChI=1S/C18H17FO3/c1-12-9-14(18(7-8-18)17(20)21)10-15(19)16(12)22-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyWQSPOBKCDPFQMH-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-5-(1-isocyanatocyclobutyl)-3-methyl-2-phenylmethoxybenzene
CID 117496223
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117459780
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 117466511
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid (CID 117484065) is 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CC2)cc(F)c1OCc1ccccc1.
What is the InChIKey of 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WQSPOBKCDPFQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3/c1-12-9-14(18(7-8-18)17(20)21)10-15(19)16(12)22-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,21).
What are the key properties of 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 300.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117484065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).