4-(2-methylpropyl)phenol;propanoic acid

C13H20O3 — CID 174874916

IUPAC4-(2-methylpropyl)phenol;propanoic acid
SMILESCC(C)Cc1ccc(O)cc1.CCC(=O)O
InChIInChI=1S/C10H14O.C3H6O2/c1-8(2)7-9-3-5-10(11)6-4-9;1-2-3(4)5/h3-6,8,11H,7H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyGMYWPHDGTMOELU-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-methylpropyl)phenol;propanoic acid

4-(2-methylpropyl)phenol;propanoic acid (PubChem CID 174874916) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-methylpropyl)phenol;propanoic acid.

Molecular Properties

Compound Name4-(2-methylpropyl)phenol;propanoic acid
PubChem CID174874916
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-(2-methylpropyl)phenol;propanoic acid
SMILESCC(C)Cc1ccc(O)cc1.CCC(=O)O
InChIInChI=1S/C10H14O.C3H6O2/c1-8(2)7-9-3-5-10(11)6-4-9;1-2-3(4)5/h3-6,8,11H,7H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyGMYWPHDGTMOELU-UHFFFAOYSA-N
XLogP3.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
1-(4-hydroxyphenyl)-2-methylpentan-3-one
CID 66598933
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
4-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802
4-butylphenol;propanoic acid
CID 70308169
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
CID 115496222
2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)phenol;propanoic acid?
The IUPAC name of 4-(2-methylpropyl)phenol;propanoic acid (CID 174874916) is 4-(2-methylpropyl)phenol;propanoic acid.
What is the SMILES notation for 4-(2-methylpropyl)phenol;propanoic acid?
The canonical SMILES for 4-(2-methylpropyl)phenol;propanoic acid is CC(C)Cc1ccc(O)cc1.CCC(=O)O.
What is the InChIKey of 4-(2-methylpropyl)phenol;propanoic acid?
The InChIKey is GMYWPHDGTMOELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C3H6O2/c1-8(2)7-9-3-5-10(11)6-4-9;1-2-3(4)5/h3-6,8,11H,7H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of 4-(2-methylpropyl)phenol;propanoic acid?
4-(2-methylpropyl)phenol;propanoic acid has a molecular weight of 224.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)phenol;propanoic acid is sourced from PubChem (CID 174874916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).