1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid

C19H28O3 — CID 117489788

IUPAC1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(C(C)C)c(C2(C(=O)O)CCCCC2)c1O
InChIInChI=1S/C19H28O3/c1-12(2)14-8-9-15(13(3)4)17(20)16(14)19(18(21)22)10-6-5-7-11-19/h8-9,12-13,20H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKeyKHLJYBMDSHKLFZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.93
Rot. Bonds4

About 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid

1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117489788) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117489788
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(C(C)C)c(C2(C(=O)O)CCCCC2)c1O
InChIInChI=1S/C19H28O3/c1-12(2)14-8-9-15(13(3)4)17(20)16(14)19(18(21)22)10-6-5-7-11-19/h8-9,12-13,20H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKeyKHLJYBMDSHKLFZ-UHFFFAOYSA-N
XLogP4.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117442710
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol
CID 117408731
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117442725
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117450845
1-(6-fluoro-2,3-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388633
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117410609
1-(2,6-difluoro-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117352864

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid (CID 117489788) is 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid is CC(C)c1ccc(C(C)C)c(C2(C(=O)O)CCCCC2)c1O.
What is the InChIKey of 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is KHLJYBMDSHKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-12(2)14-8-9-15(13(3)4)17(20)16(14)19(18(21)22)10-6-5-7-11-19/h8-9,12-13,20H,5-7,10-11H2,1-4H3,(H,21,22).
What are the key properties of 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid?
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 304.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117489788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).