1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid

C19H28O3 — CID 117489786

IUPAC1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1cc(C(C)(C)C)c(O)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C19H28O3/c1-5-13-11-14(18(2,3)4)16(20)15(12-13)19(17(21)22)9-7-6-8-10-19/h11-12,20H,5-10H2,1-4H3,(H,21,22)
InChIKeyRSQDFCQMQXPTNP-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.54
Rot. Bonds3

About 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid

1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117489786) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID117489786
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1cc(C(C)(C)C)c(O)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C19H28O3/c1-5-13-11-14(18(2,3)4)16(20)15(12-13)19(17(21)22)9-7-6-8-10-19/h11-12,20H,5-10H2,1-4H3,(H,21,22)
InChIKeyRSQDFCQMQXPTNP-UHFFFAOYSA-N
XLogP4.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117405451
1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117454406
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117420839
1-(4-tert-butyl-5-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117410599
1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 57164668
1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117469275
1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid
CID 117410597
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117489779
5-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136966464
1-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117446135

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid (CID 117489786) is 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid is CCc1cc(C(C)(C)C)c(O)c(C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is RSQDFCQMQXPTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-5-13-11-14(18(2,3)4)16(20)15(12-13)19(17(21)22)9-7-6-8-10-19/h11-12,20H,5-10H2,1-4H3,(H,21,22).
What are the key properties of 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid?
1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 304.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117489786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).