1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid

C16H22O3 — CID 117410510

IUPAC1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cccc(OC(C)C)c1C1(C(=O)O)CCCC1
InChIInChI=1S/C16H22O3/c1-11(2)19-13-8-6-7-12(3)14(13)16(15(17)18)9-4-5-10-16/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyDTCOTYMABKJJIB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.68
Rot. Bonds4

About 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid

1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117410510) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117410510
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cccc(OC(C)C)c1C1(C(=O)O)CCCC1
InChIInChI=1S/C16H22O3/c1-11(2)19-13-8-6-7-12(3)14(13)16(15(17)18)9-4-5-10-16/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyDTCOTYMABKJJIB-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid (CID 117410510) is 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid is Cc1cccc(OC(C)C)c1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is DTCOTYMABKJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)19-13-8-6-7-12(3)14(13)16(15(17)18)9-4-5-10-16/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid?
1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117410510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).