1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid

C17H24O3 — CID 117442750

IUPAC1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1c(C(C)C)cccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H24O3/c1-12(2)13-8-7-9-14(15(13)20-3)17(16(18)19)10-5-4-6-11-17/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,19)
InChIKeyYKEZSEXFTITJEI-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid

1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117442750) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117442750
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1c(C(C)C)cccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H24O3/c1-12(2)13-8-7-9-14(15(13)20-3)17(16(18)19)10-5-4-6-11-17/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,19)
InChIKeyYKEZSEXFTITJEI-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383747
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117348864
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117442725
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117410609
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117415224
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (CID 117442750) is 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is COc1c(C(C)C)cccc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is YKEZSEXFTITJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-12(2)13-8-7-9-14(15(13)20-3)17(16(18)19)10-5-4-6-11-17/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117442750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).