4-[4-(2-propoxypropyl)phenyl]benzoic acid

C19H22O3 — CID 15027159

IUPAC4-[4-(2-propoxypropyl)phenyl]benzoic acid
SMILESCCCOC(C)Cc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H22O3/c1-3-12-22-14(2)13-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(20)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyBVDYGWBQYYHJPV-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.41
Rot. Bonds7

About 4-[4-(2-propoxypropyl)phenyl]benzoic acid

4-[4-(2-propoxypropyl)phenyl]benzoic acid (PubChem CID 15027159) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[4-(2-propoxypropyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-propoxypropyl)phenyl]benzoic acid
PubChem CID15027159
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-[4-(2-propoxypropyl)phenyl]benzoic acid
SMILESCCCOC(C)Cc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H22O3/c1-3-12-22-14(2)13-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(20)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyBVDYGWBQYYHJPV-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-propoxyethyl)benzoic acid
CID 14473433
4-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]benzoic acid
CID 18927891
4-[4-[(2R,5S)-5-octoxyhexan-2-yl]oxyphenyl]benzoic acid
CID 57212078
4-[2-[(2S)-octan-2-yl]oxyethyl]benzoic acid
CID 14793841
4-(6-hexoxyheptyl)benzoic acid
CID 139683133
4-[4-(3-methyl-2-oxobutyl)phenyl]benzoic acid
CID 82541056
4-(2-butoxypropoxy)benzoic acid
CID 150329257
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
2-[4-[4-[(2S)-2-decoxypropyl]phenyl]phenyl]-5-hexoxypyrimidine
CID 18647456
4-[4-(2-amino-3-hydroxypropyl)phenyl]benzoic acid;hydrochloride
CID 170892858
4-(4-dodecylphenyl)benzoic acid
CID 3092136
4-[4-(4-methylhexyl)phenyl]benzoic acid
CID 19028475

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-propoxypropyl)phenyl]benzoic acid?
The IUPAC name of 4-[4-(2-propoxypropyl)phenyl]benzoic acid (CID 15027159) is 4-[4-(2-propoxypropyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(2-propoxypropyl)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(2-propoxypropyl)phenyl]benzoic acid is CCCOC(C)Cc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-(2-propoxypropyl)phenyl]benzoic acid?
The InChIKey is BVDYGWBQYYHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-12-22-14(2)13-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(20)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of 4-[4-(2-propoxypropyl)phenyl]benzoic acid?
4-[4-(2-propoxypropyl)phenyl]benzoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-propoxypropyl)phenyl]benzoic acid is sourced from PubChem (CID 15027159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).