(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid

C23H20O5 — CID 22243719

IUPAC(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid
SMILESCO/C=C(\C(=O)O)c1ccccc1Oc1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C23H20O5/c1-27-15-20(23(25)26)19-12-5-6-13-21(19)28-18-11-7-10-17(14-18)22(24)16-8-3-2-4-9-16/h2-15,22,24H,1H3,(H,25,26)/b20-15-
InChIKeyRULFIJYPMFXJDW-HKWRFOASSA-N
MW376.41 g/mol
LogP4.63
Rot. Bonds7

About (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid

(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid (PubChem CID 22243719) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid
PubChem CID22243719
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid
SMILESCO/C=C(\C(=O)O)c1ccccc1Oc1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C23H20O5/c1-27-15-20(23(25)26)19-12-5-6-13-21(19)28-18-11-7-10-17(14-18)22(24)16-8-3-2-4-9-16/h2-15,22,24H,1H3,(H,25,26)/b20-15-
InChIKeyRULFIJYPMFXJDW-HKWRFOASSA-N
XLogP4.63
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-formylphenoxy)phenyl]-3-methoxyprop-2-enoic acid
CID 173342076
3-methoxy-2-[2-(3-phenoxycarbonylphenoxy)phenyl]prop-2-enoic acid
CID 151245720
(E)-2-[2-[3-(4,5-dimethylpyrimidin-2-yl)oxyphenoxy]phenyl]-3-methoxyprop-2-enoic acid
CID 172774964
methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 54157261
methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 67784963
methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate
CID 15125736
methyl (E)-3-methoxy-2-[2-[3-(5-methylpyrimidin-2-yl)oxyphenoxy]phenyl]prop-2-enoate
CID 66620695
3-methoxy-2-(2-phenylmethoxyphenyl)prop-2-enoic acid
CID 54476802
methyl 3-methoxy-2-[2-[(4-phenoxy-1,3,5-triazin-2-yl)oxy]phenyl]prop-2-enoate
CID 54201537
(E)-3-methoxy-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]prop-2-enoic acid
CID 150400512
(E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoic acid
CID 70149297
3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid
CID 173202004

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid?
The IUPAC name of (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid (CID 22243719) is (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid.
What is the SMILES notation for (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid?
The canonical SMILES for (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid is CO/C=C(\C(=O)O)c1ccccc1Oc1cccc(C(O)c2ccccc2)c1.
What is the InChIKey of (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid?
The InChIKey is RULFIJYPMFXJDW-HKWRFOASSA-N. The full InChI is InChI=1S/C23H20O5/c1-27-15-20(23(25)26)19-12-5-6-13-21(19)28-18-11-7-10-17(14-18)22(24)16-8-3-2-4-9-16/h2-15,22,24H,1H3,(H,25,26)/b20-15-.
What are the key properties of (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid?
(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid has a molecular weight of 376.41 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid is sourced from PubChem (CID 22243719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).