1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid

C14H18O4 — CID 117378944

IUPAC1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cccc(OC(C)C)c1C1(C(=O)O)CC1
InChIInChI=1S/C14H18O4/c1-9(2)18-11-6-4-5-10(17-3)12(11)14(7-8-14)13(15)16/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyQVZSUQJMWWCMBV-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid

1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117378944) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117378944
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cccc(OC(C)C)c1C1(C(=O)O)CC1
InChIInChI=1S/C14H18O4/c1-9(2)18-11-6-4-5-10(17-3)12(11)14(7-8-14)13(15)16/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyQVZSUQJMWWCMBV-UHFFFAOYSA-N
XLogP2.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
CID 117410510
1-[2-(fluoromethyl)-6-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117321562
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409
1-[2-(difluoromethyl)-6-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428762
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394900
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383748
1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 117424249
2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
CID 117415115
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117348864
3-amino-3-(2-methoxy-6-propan-2-yloxyphenyl)propanoic acid
CID 117385813

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid (CID 117378944) is 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid is COc1cccc(OC(C)C)c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is QVZSUQJMWWCMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9(2)18-11-6-4-5-10(17-3)12(11)14(7-8-14)13(15)16/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117378944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).