3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione

C15H18O4 — CID 14429229

IUPAC3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione
SMILESCOc1cccc(CCCC2C(=O)OC(C)C2=O)c1
InChIInChI=1S/C15H18O4/c1-10-14(16)13(15(17)19-10)8-4-6-11-5-3-7-12(9-11)18-2/h3,5,7,9-10,13H,4,6,8H2,1-2H3
InChIKeyVWCWEYCLMLNXRX-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.15
Rot. Bonds5

About 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione

3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione (PubChem CID 14429229) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione
PubChem CID14429229
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione
SMILESCOc1cccc(CCCC2C(=O)OC(C)C2=O)c1
InChIInChI=1S/C15H18O4/c1-10-14(16)13(15(17)19-10)8-4-6-11-5-3-7-12(9-11)18-2/h3,5,7,9-10,13H,4,6,8H2,1-2H3
InChIKeyVWCWEYCLMLNXRX-UHFFFAOYSA-N
XLogP2.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 64504307
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4-(3-methoxyphenyl)butanal
CID 10821200
1-methoxy-3-nonadecylbenzene
CID 154507578
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
N-[3-(3-methoxyphenyl)propoxy]methanamine
CID 117126893
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7-(3-methoxyphenyl)heptanal
CID 86640154
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
methyl (E)-3-[3-[3-(3-methoxyphenyl)propyl]oxiran-2-yl]prop-2-enoate
CID 101098543
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
5-ethyl-2-[2-(3-methoxyphenyl)ethyl]cycloheptan-1-one
CID 123788448

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione?
The IUPAC name of 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione (CID 14429229) is 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione?
The canonical SMILES for 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione is COc1cccc(CCCC2C(=O)OC(C)C2=O)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione?
The InChIKey is VWCWEYCLMLNXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-10-14(16)13(15(17)19-10)8-4-6-11-5-3-7-12(9-11)18-2/h3,5,7,9-10,13H,4,6,8H2,1-2H3.
What are the key properties of 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione?
3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)propyl]-5-methyloxolane-2,4-dione is sourced from PubChem (CID 14429229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).