2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid

C21H26O4 — CID 139823282

IUPAC2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid
SMILESCCCc1cc(C(C)(C(=O)O)c2ccc(O)c(CCC)c2)ccc1O
InChIInChI=1S/C21H26O4/c1-4-6-14-12-16(8-10-18(14)22)21(3,20(24)25)17-9-11-19(23)15(13-17)7-5-2/h8-13,22-23H,4-7H2,1-3H3,(H,24,25)
InChIKeyOHQQMVDOPKLXCV-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.39
Rot. Bonds7

About 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid

2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid (PubChem CID 139823282) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid.

Molecular Properties

Compound Name2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid
PubChem CID139823282
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid
SMILESCCCc1cc(C(C)(C(=O)O)c2ccc(O)c(CCC)c2)ccc1O
InChIInChI=1S/C21H26O4/c1-4-6-14-12-16(8-10-18(14)22)21(3,20(24)25)17-9-11-19(23)15(13-17)7-5-2/h8-13,22-23H,4-7H2,1-3H3,(H,24,25)
InChIKeyOHQQMVDOPKLXCV-UHFFFAOYSA-N
XLogP4.39
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol
CID 71712434
2,2-bis(3,5-dibutyl-4-hydroxyphenyl)propanoic acid
CID 69306762
2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one
CID 19835265
(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid
CID 174480631
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
(4-hydroxy-3-propylphenyl) acetate
CID 151790700
4-hydroxy-3-propylbenzaldehyde
CID 57447725
2-bromo-1-(4-hydroxy-3-propylphenyl)ethanone
CID 22641008
2-(2-propylphenyl)acetic acid
CID 46897017
4,6-dipropylbenzene-1,3-diol
CID 70496109
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992
4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
CID 163710554

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid?
The IUPAC name of 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid (CID 139823282) is 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid.
What is the SMILES notation for 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid?
The canonical SMILES for 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid is CCCc1cc(C(C)(C(=O)O)c2ccc(O)c(CCC)c2)ccc1O.
What is the InChIKey of 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid?
The InChIKey is OHQQMVDOPKLXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-4-6-14-12-16(8-10-18(14)22)21(3,20(24)25)17-9-11-19(23)15(13-17)7-5-2/h8-13,22-23H,4-7H2,1-3H3,(H,24,25).
What are the key properties of 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid?
2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid has a molecular weight of 342.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid is sourced from PubChem (CID 139823282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).