1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid

C15H20O3 — CID 117373867

IUPAC1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCC2)ccc1OC(C)C
InChIInChI=1S/C15H20O3/c1-10(2)18-13-6-5-12(9-11(13)3)15(14(16)17)7-4-8-15/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyLZESIEMVSBCYEP-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.29
Rot. Bonds4

About 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid

1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117373867) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117373867
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCC2)ccc1OC(C)C
InChIInChI=1S/C15H20O3/c1-10(2)18-13-6-5-12(9-11(13)3)15(14(16)17)7-4-8-15/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyLZESIEMVSBCYEP-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
1-(3-methyl-4-propan-2-yloxycarbonylphenyl)cyclohexane-1-carboxylic acid
CID 142925520
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
1-(2-methyl-6-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
CID 117410510
4-(1-isocyanatocyclobutyl)-2-methyl-1-propan-2-yloxybenzene
CID 117365393
1-(4-methoxy-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117384290
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 82289722
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid (CID 117373867) is 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCC2)ccc1OC(C)C.
What is the InChIKey of 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is LZESIEMVSBCYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(2)18-13-6-5-12(9-11(13)3)15(14(16)17)7-4-8-15/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid?
1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117373867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).