4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)

C16H22O7 — CID 118541193

IUPAC4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.COc1cc(CO)ccc1O
InChIInChI=1S/C8H10O3.2C4H6O2/c1-11-8-4-6(5-9)2-3-7(8)10;2*1-3(2)4(5)6/h2-4,9-10H,5H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyBZEMFATXCSMZRM-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.19
Rot. Bonds4

About 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)

4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid) (PubChem CID 118541193) has the molecular formula C16H22O7 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
PubChem CID118541193
Molecular FormulaC16H22O7
Molecular Weight326.35 g/mol
Exact Mass326.14
IUPAC Name4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.COc1cc(CO)ccc1O
InChIInChI=1S/C8H10O3.2C4H6O2/c1-11-8-4-6(5-9)2-3-7(8)10;2*1-3(2)4(5)6/h2-4,9-10H,5H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyBZEMFATXCSMZRM-UHFFFAOYSA-N
XLogP2.19
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;butane-2,3-dione;4-(hydroxymethyl)-2-methoxyphenol
CID 175343442
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
CID 107742387
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
CID 66731296
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
4-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992880
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
4-(iodomethyl)-2-methoxyphenol
CID 15255516

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid) (CID 118541193) is 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.COc1cc(CO)ccc1O.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)?
The InChIKey is BZEMFATXCSMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.2C4H6O2/c1-11-8-4-6(5-9)2-3-7(8)10;2*1-3(2)4(5)6/h2-4,9-10H,5H2,1H3;2*1H2,2H3,(H,5,6).
What are the key properties of 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)?
4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid) has a molecular weight of 326.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 118541193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).