1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid

C18H24O4 — CID 142925520

IUPAC1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCCC2)ccc1C(=O)OC(C)C
InChIInChI=1S/C18H24O4/c1-12(2)22-16(19)15-8-7-14(11-13(15)3)18(17(20)21)9-5-4-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,21)
InChIKeyHEJBCNRJGKZLEY-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.85
Rot. Bonds4

About 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid

1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 142925520) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid
PubChem CID142925520
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCCC2)ccc1C(=O)OC(C)C
InChIInChI=1S/C18H24O4/c1-12(2)22-16(19)15-8-7-14(11-13(15)3)18(17(20)21)9-5-4-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,21)
InChIKeyHEJBCNRJGKZLEY-UHFFFAOYSA-N
XLogP3.85
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid (CID 142925520) is 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCCCC2)ccc1C(=O)OC(C)C.
What is the InChIKey of 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is HEJBCNRJGKZLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-12(2)22-16(19)15-8-7-14(11-13(15)3)18(17(20)21)9-5-4-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,21).
What are the key properties of 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid?
1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142925520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).