3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid

C19H20O5 — CID 175151116

IUPAC3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1OCC(O)COCc1ccccc1
InChIInChI=1S/C19H20O5/c20-17(13-23-12-15-6-2-1-3-7-15)14-24-18-9-5-4-8-16(18)10-11-19(21)22/h1-11,17,20H,12-14H2,(H,21,22)
InChIKeyPYODJQWCBCSJSF-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.74
Rot. Bonds9

About 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid

3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid (PubChem CID 175151116) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid
PubChem CID175151116
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1OCC(O)COCc1ccccc1
InChIInChI=1S/C19H20O5/c20-17(13-23-12-15-6-2-1-3-7-15)14-24-18-9-5-4-8-16(18)10-11-19(21)22/h1-11,17,20H,12-14H2,(H,21,22)
InChIKeyPYODJQWCBCSJSF-UHFFFAOYSA-N
XLogP2.74
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
3-[2-(2-hydroxypropoxy)phenyl]prop-2-enoic acid
CID 54269317
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405811
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
3-[2-[2-(2-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20987887
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid
CID 103410475
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate
CID 153399419
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid (CID 175151116) is 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccccc1OCC(O)COCc1ccccc1.
What is the InChIKey of 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid?
The InChIKey is PYODJQWCBCSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c20-17(13-23-12-15-6-2-1-3-7-15)14-24-18-9-5-4-8-16(18)10-11-19(21)22/h1-11,17,20H,12-14H2,(H,21,22).
What are the key properties of 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid?
3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid has a molecular weight of 328.36 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 175151116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).