4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid

C24H22O5 — CID 15682702

IUPAC4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
SMILESCCCc1c(COc2ccc(C(=O)O)cc2)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C24H22O5/c1-2-6-20-18(15-29-19-12-9-17(10-13-19)24(27)28)11-14-21(23(20)26)22(25)16-7-4-3-5-8-16/h3-5,7-14,26H,2,6,15H2,1H3,(H,27,28)
InChIKeyTXKIFYNNGYYJPW-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.85
Rot. Bonds8

About 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid

4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid (PubChem CID 15682702) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
PubChem CID15682702
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
SMILESCCCc1c(COc2ccc(C(=O)O)cc2)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C24H22O5/c1-2-6-20-18(15-29-19-12-9-17(10-13-19)24(27)28)11-14-21(23(20)26)22(25)16-7-4-3-5-8-16/h3-5,7-14,26H,2,6,15H2,1H3,(H,27,28)
InChIKeyTXKIFYNNGYYJPW-UHFFFAOYSA-N
XLogP4.85
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
CID 15682696
4-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]sulfinylbenzoic acid
CID 68538290
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
5-[4-[(4-benzoyl-3-hydroxy-2-prop-2-enylphenyl)methoxy]phenyl]-3-methyl-5-oxopentanoic acid
CID 54027984
(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
5-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]-5-oxopentanenitrile
CID 15098201
3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
CID 150759629
(2-amino-3,4-dipropylphenyl)-phenylmethanone
CID 154351124
4-benzoyl-3-butoxybenzoic acid
CID 21440121
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710
4-phenylmethoxybenzoic acid
CID 68896574

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid?
The IUPAC name of 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid (CID 15682702) is 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid is CCCc1c(COc2ccc(C(=O)O)cc2)ccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid?
The InChIKey is TXKIFYNNGYYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-2-6-20-18(15-29-19-12-9-17(10-13-19)24(27)28)11-14-21(23(20)26)22(25)16-7-4-3-5-8-16/h3-5,7-14,26H,2,6,15H2,1H3,(H,27,28).
What are the key properties of 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid?
4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid has a molecular weight of 390.44 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 15682702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).