methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate

C12H14O5 — CID 11207139

IUPACmethyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H14O5/c1-7(12(15)17-3)11(14)8-4-5-9(13)10(6-8)16-2/h4-6,11,13-14H,1H2,2-3H3
InChIKeyPWZRJUOGMZVHHX-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.16
Rot. Bonds4

About methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate

methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate (PubChem CID 11207139) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate
PubChem CID11207139
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namemethyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H14O5/c1-7(12(15)17-3)11(14)8-4-5-9(13)10(6-8)16-2/h4-6,11,13-14H,1H2,2-3H3
InChIKeyPWZRJUOGMZVHHX-UHFFFAOYSA-N
XLogP1.16
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
CID 154662033
CID 154662033
propyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
CID 54017082
N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride
CID 170901975
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
CID 58361160
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate
CID 102337545
methyl 2-[(3-bromo-5-methoxy-4-propoxyphenyl)-hydroxymethyl]prop-2-enoate
CID 43100448
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 86575310
2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
CID 82714303

Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate (CID 11207139) is methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate is C=C(C(=O)OC)C(O)c1ccc(O)c(OC)c1.
What is the InChIKey of methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate?
The InChIKey is PWZRJUOGMZVHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-7(12(15)17-3)11(14)8-4-5-9(13)10(6-8)16-2/h4-6,11,13-14H,1H2,2-3H3.
What are the key properties of methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate?
methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate has a molecular weight of 238.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 11207139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).