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

C17H24O3 — CID 117442710

IUPAC1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCC(C)c1ccc(C(C)C)c(C2(C(=O)O)CCC2)c1O
InChIInChI=1S/C17H24O3/c1-10(2)12-6-7-13(11(3)4)15(18)14(12)17(16(19)20)8-5-9-17/h6-7,10-11,18H,5,8-9H2,1-4H3,(H,19,20)
InChIKeyKDBJORBLECWYSK-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.15
Rot. Bonds4

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

1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117442710) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117442710
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCC(C)c1ccc(C(C)C)c(C2(C(=O)O)CCC2)c1O
InChIInChI=1S/C17H24O3/c1-10(2)12-6-7-13(11(3)4)15(18)14(12)17(16(19)20)8-5-9-17/h6-7,10-11,18H,5,8-9H2,1-4H3,(H,19,20)
InChIKeyKDBJORBLECWYSK-UHFFFAOYSA-N
XLogP4.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117410609
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-difluoro-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117352864
1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117425405
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
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-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid (CID 117442710) is 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid is CC(C)c1ccc(C(C)C)c(C2(C(=O)O)CCC2)c1O.
What is the InChIKey of 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is KDBJORBLECWYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-10(2)12-6-7-13(11(3)4)15(18)14(12)17(16(19)20)8-5-9-17/h6-7,10-11,18H,5,8-9H2,1-4H3,(H,19,20).
What are the key properties of 1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid?
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 4.15, 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]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117442710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).