4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid

C23H18O5 — CID 54348425

IUPAC4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
SMILESO=C(O)c1ccc(O)c(C(=O)C=Cc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H18O5/c24-21(20-14-18(23(26)27)10-12-22(20)25)11-9-16-7-4-8-19(13-16)28-15-17-5-2-1-3-6-17/h1-14,25H,15H2,(H,26,27)
InChIKeyUDYGLBHOLOQDEQ-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.57
Rot. Bonds7

About 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid

4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid (PubChem CID 54348425) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
PubChem CID54348425
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
SMILESO=C(O)c1ccc(O)c(C(=O)C=Cc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H18O5/c24-21(20-14-18(23(26)27)10-12-22(20)25)11-9-16-7-4-8-19(13-16)28-15-17-5-2-1-3-6-17/h1-14,25H,15H2,(H,26,27)
InChIKeyUDYGLBHOLOQDEQ-UHFFFAOYSA-N
XLogP4.57
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
CID 10714433
(E)-1-(2-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 6153182
3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 11043762
1-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-hydroxyphenyl]-3-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]prop-2-en-1-one
CID 168806042
3-[[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzonitrile
CID 52643102
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19540627
(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265
methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405
(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542
1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
CID 175537344
(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 70236184
6-[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one
CID 7638145

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid?
The IUPAC name of 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid (CID 54348425) is 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid.
What is the SMILES notation for 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid?
The canonical SMILES for 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid is O=C(O)c1ccc(O)c(C(=O)C=Cc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid?
The InChIKey is UDYGLBHOLOQDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c24-21(20-14-18(23(26)27)10-12-22(20)25)11-9-16-7-4-8-19(13-16)28-15-17-5-2-1-3-6-17/h1-14,25H,15H2,(H,26,27).
What are the key properties of 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid?
4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid has a molecular weight of 374.39 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid is sourced from PubChem (CID 54348425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).