methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate

C11H12O4 — CID 141250753

IUPACmethyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate
SMILESC=C(C(=O)OC)c1cccc(OCO)c1
InChIInChI=1S/C11H12O4/c1-8(11(13)14-2)9-4-3-5-10(6-9)15-7-12/h3-6,12H,1,7H2,2H3
InChIKeySRBGFTUDYDFSBP-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.20
Rot. Bonds4

About methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate

methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate (PubChem CID 141250753) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate
PubChem CID141250753
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate
SMILESC=C(C(=O)OC)c1cccc(OCO)c1
InChIInChI=1S/C11H12O4/c1-8(11(13)14-2)9-4-3-5-10(6-9)15-7-12/h3-6,12H,1,7H2,2H3
InChIKeySRBGFTUDYDFSBP-UHFFFAOYSA-N
XLogP1.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 69253409
(3-methoxyphenoxy)methanol
CID 10442564
methyl 3-ethoxybenzoate
CID 3267781
5-(3-methoxyphenyl)hex-5-en-3-one
CID 143913597
ethyl 2-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 151326809
2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
CID 140768864
3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
CID 101056667
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-(2-iodoethoxy)benzoate
CID 10979673
[3-[[4,6-bis[3-(hydroxymethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]methyl 2-methylprop-2-enoate
CID 155065630
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate?
The IUPAC name of methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate (CID 141250753) is methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate?
The canonical SMILES for methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate is C=C(C(=O)OC)c1cccc(OCO)c1.
What is the InChIKey of methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate?
The InChIKey is SRBGFTUDYDFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(11(13)14-2)9-4-3-5-10(6-9)15-7-12/h3-6,12H,1,7H2,2H3.
What are the key properties of methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate?
methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 141250753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).