[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate

C14H18O4 — CID 166044944

IUPAC[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(OC)cccc1OC(C)(C)C
InChIInChI=1S/C14H18O4/c1-6-12(15)17-13-10(16-5)8-7-9-11(13)18-14(2,3)4/h6-9H,1H2,2-5H3
InChIKeyAWSRNSDBBPNGAR-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.96
Rot. Bonds4

About [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate

[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate (PubChem CID 166044944) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
PubChem CID166044944
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(OC)cccc1OC(C)(C)C
InChIInChI=1S/C14H18O4/c1-6-12(15)17-13-10(16-5)8-7-9-11(13)18-14(2,3)4/h6-9H,1H2,2-5H3
InChIKeyAWSRNSDBBPNGAR-UHFFFAOYSA-N
XLogP2.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) prop-2-enoate
CID 22987486
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
tert-butyl (2,6-dimethoxyphenyl) carbonate
CID 19982983
1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052369
[4-[[5-[difluoro-(4-prop-2-enoyloxyphenyl)methoxy]naphthalen-1-yl]oxy-difluoromethyl]phenyl] prop-2-enoate;ethane
CID 123693959
(2,6-dimethoxyphenyl) (E)-4-oxo-4-(prop-2-enylamino)but-2-enoate
CID 91721580
(3,4,5-trimethoxyphenyl) prop-2-enoate
CID 100954582
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406566
(6-bromo-2-hydroxy-3-methoxyphenyl) prop-2-enoate
CID 175096593
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
(2,6-dibromophenyl) prop-2-enoate
CID 91415970
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate?
The IUPAC name of [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate (CID 166044944) is [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate.
What is the SMILES notation for [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate?
The canonical SMILES for [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate is C=CC(=O)Oc1c(OC)cccc1OC(C)(C)C.
What is the InChIKey of [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate?
The InChIKey is AWSRNSDBBPNGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-6-12(15)17-13-10(16-5)8-7-9-11(13)18-14(2,3)4/h6-9H,1H2,2-5H3.
What are the key properties of [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate?
[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate is sourced from PubChem (CID 166044944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).