2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)

C19H20O6 — CID 159187448

IUPAC2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.Oc1ccccc1Cc1ccccc1O
InChIInChI=1S/C13H12O2.2C3H4O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;2*1-2-3(4)5/h1-8,14-15H,9H2;2*2H,1H2,(H,4,5)
InChIKeyKNQZALPEKGBQSZ-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.20
Rot. Bonds4

About 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)

2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid) (PubChem CID 159187448) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid).

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)
PubChem CID159187448
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.Oc1ccccc1Cc1ccccc1O
InChIInChI=1S/C13H12O2.2C3H4O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;2*1-2-3(4)5/h1-8,14-15H,9H2;2*2H,1H2,(H,4,5)
InChIKeyKNQZALPEKGBQSZ-UHFFFAOYSA-N
XLogP3.20
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzylphenol;prop-2-enoic acid
CID 69011009
(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid
CID 67513277
benzene;phenol;prop-2-enoic acid
CID 174875932
phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid
CID 163328185
phenanthrene;prop-2-enoic acid
CID 88600118
2-(2-hydroxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 71864379
prop-2-enoic acid;styrene
CID 160851252
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
2-methylprop-2-enoic acid;2-prop-2-enylphenol
CID 70155060

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid) (CID 159187448) is 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid).
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.Oc1ccccc1Cc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)?
The InChIKey is KNQZALPEKGBQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.2C3H4O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;2*1-2-3(4)5/h1-8,14-15H,9H2;2*2H,1H2,(H,4,5).
What are the key properties of 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)?
2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid) has a molecular weight of 344.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid) is sourced from PubChem (CID 159187448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).