methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate

C15H20O4 — CID 102283618

IUPACmethyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate
SMILESCOC(=O)/C(C)=C/COc1ccc(CCCO)cc1
InChIInChI=1S/C15H20O4/c1-12(15(17)18-2)9-11-19-14-7-5-13(6-8-14)4-3-10-16/h5-9,16H,3-4,10-11H2,1-2H3/b12-9+
InChIKeyXOXPBZLYTXFSDJ-FMIVXFBMSA-N
MW264.32 g/mol
LogP2.11
Rot. Bonds7

About methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate

methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate (PubChem CID 102283618) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate
PubChem CID102283618
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate
SMILESCOC(=O)/C(C)=C/COc1ccc(CCCO)cc1
InChIInChI=1S/C15H20O4/c1-12(15(17)18-2)9-11-19-14-7-5-13(6-8-14)4-3-10-16/h5-9,16H,3-4,10-11H2,1-2H3/b12-9+
InChIKeyXOXPBZLYTXFSDJ-FMIVXFBMSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-4-(4-methylsulfanylphenoxy)but-2-enoate
CID 77074671
3-(4-prop-2-enoxyphenyl)propan-1-ol
CID 54214209
2-methyl-4-(4-propylphenoxy)but-2-enoic acid
CID 77076248
methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate
CID 77075114
methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
methyl 4-(3-iodophenoxy)-2-methylbut-2-enoate
CID 77074437
(Z)-4-[4-(carboxymethyl)phenoxy]-2-methylbut-2-enoic acid
CID 164614265
methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate
CID 77100339
methyl (E)-4-(4-methoxy-3-nitrophenoxy)-2-methylbut-2-enoate
CID 103201508
4-(4-ethoxyphenoxy)-2-methylbut-2-enoic acid
CID 77075751
tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
CID 162639917
methyl 4-(2,4-dimethylphenoxy)-2-methylbut-2-enoate
CID 77076214

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate?
The IUPAC name of methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate (CID 102283618) is methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate.
What is the SMILES notation for methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate?
The canonical SMILES for methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate is COC(=O)/C(C)=C/COc1ccc(CCCO)cc1.
What is the InChIKey of methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate?
The InChIKey is XOXPBZLYTXFSDJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H20O4/c1-12(15(17)18-2)9-11-19-14-7-5-13(6-8-14)4-3-10-16/h5-9,16H,3-4,10-11H2,1-2H3/b12-9+.
What are the key properties of methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate?
methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate is sourced from PubChem (CID 102283618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).