2-[2-(2-hydroxypropoxy)propyl]terephthalic acid

C14H18O6 — CID 139699704

IUPAC2-[2-(2-hydroxypropoxy)propyl]terephthalic acid
SMILESCC(O)COC(C)Cc1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C14H18O6/c1-8(15)7-20-9(2)5-11-6-10(13(16)17)3-4-12(11)14(18)19/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZZDQOYSXVCXRTG-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.41
Rot. Bonds7

About 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid

2-[2-(2-hydroxypropoxy)propyl]terephthalic acid (PubChem CID 139699704) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)propyl]terephthalic acid
PubChem CID139699704
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name2-[2-(2-hydroxypropoxy)propyl]terephthalic acid
SMILESCC(O)COC(C)Cc1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C14H18O6/c1-8(15)7-20-9(2)5-11-6-10(13(16)17)3-4-12(11)14(18)19/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZZDQOYSXVCXRTG-UHFFFAOYSA-N
XLogP1.41
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxypropoxycarbonyl)-3-(2-hydroxypropyl)benzoic acid
CID 67630711
3-[2-(2-hydroxypropoxy)propyl]phthalic acid
CID 139699680
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid
CID 159288501
4-(2-hydroxypropoxy)benzene-1,3-dicarboxylic acid
CID 139699918
4-[2-(2-hydroxypropoxy)ethyl]benzene-1,3-dicarboxylic acid
CID 139699705
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 67710073
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2-diol
CID 174975756
2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 57351297
2-[2-(2,5-dicarboxybenzoyl)oxypropoxycarbonyl]terephthalic acid
CID 123861760
2-(chloromethyl)terephthalic acid
CID 90704685
4-hydroxy-2-(2-methylpropyl)benzoic acid;2-methylpropyl 4-hydroxybenzoate
CID 159650836
2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol
CID 66883017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid?
The IUPAC name of 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid (CID 139699704) is 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid.
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid is CC(O)COC(C)Cc1cc(C(=O)O)ccc1C(=O)O.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid?
The InChIKey is ZZDQOYSXVCXRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-8(15)7-20-9(2)5-11-6-10(13(16)17)3-4-12(11)14(18)19/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid?
2-[2-(2-hydroxypropoxy)propyl]terephthalic acid has a molecular weight of 282.29 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)propyl]terephthalic acid is sourced from PubChem (CID 139699704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).