methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate

C14H18O3 — CID 62706893

IUPACmethyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate
SMILESC=C(Cc1ccc(OC(C)C)cc1)C(=O)OC
InChIInChI=1S/C14H18O3/c1-10(2)17-13-7-5-12(6-8-13)9-11(3)14(15)16-4/h5-8,10H,3,9H2,1-2,4H3
InChIKeyIDKWDSBPRFMFRG-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.75
Rot. Bonds5

About methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate

methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate (PubChem CID 62706893) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate
PubChem CID62706893
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate
SMILESC=C(Cc1ccc(OC(C)C)cc1)C(=O)OC
InChIInChI=1S/C14H18O3/c1-10(2)17-13-7-5-12(6-8-13)9-11(3)14(15)16-4/h5-8,10H,3,9H2,1-2,4H3
InChIKeyIDKWDSBPRFMFRG-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
2-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 57248551
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
N-(3-amino-2-methylpropyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 115271689
N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 3799684
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762
methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate
CID 117266981
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide
CID 6413143

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate (CID 62706893) is methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate is C=C(Cc1ccc(OC(C)C)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate?
The InChIKey is IDKWDSBPRFMFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)17-13-7-5-12(6-8-13)9-11(3)14(15)16-4/h5-8,10H,3,9H2,1-2,4H3.
What are the key properties of methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate?
methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 62706893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).