3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol

C22H20O4 — CID 68756440

IUPAC3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol
SMILESO=C(O)C=C(c1ccccc1)c1ccccc1.OCc1ccccc1O
InChIInChI=1S/C15H12O2.C7H8O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;8-5-6-3-1-2-4-7(6)9/h1-11H,(H,16,17);1-4,8-9H,5H2
InChIKeyDLWMMDGHSJYIAH-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.09
Rot. Bonds4

About 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol

3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol (PubChem CID 68756440) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol
PubChem CID68756440
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol
SMILESO=C(O)C=C(c1ccccc1)c1ccccc1.OCc1ccccc1O
InChIInChI=1S/C15H12O2.C7H8O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;8-5-6-3-1-2-4-7(6)9/h1-11H,(H,16,17);1-4,8-9H,5H2
InChIKeyDLWMMDGHSJYIAH-UHFFFAOYSA-N
XLogP4.09
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
CID 137424646
CID 137424646
2-(hydroxymethyl)phenol;methane
CID 157439231
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
3-naphthalen-2-yl-3-phenylprop-2-enoic acid
CID 54114059
2-hydroxyethyl 3,3-diphenylprop-2-enoate
CID 15648396
(E)-3-[4-(2-ethylbutoxy)phenyl]-3-phenylprop-2-enoic acid
CID 68864480
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)
CID 118271940
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)
CID 159187448

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol?
The IUPAC name of 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol (CID 68756440) is 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol.
What is the SMILES notation for 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol?
The canonical SMILES for 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol is O=C(O)C=C(c1ccccc1)c1ccccc1.OCc1ccccc1O.
What is the InChIKey of 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol?
The InChIKey is DLWMMDGHSJYIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.C7H8O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;8-5-6-3-1-2-4-7(6)9/h1-11H,(H,16,17);1-4,8-9H,5H2.
What are the key properties of 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol?
3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol has a molecular weight of 348.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol is sourced from PubChem (CID 68756440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).