2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid

C15H18O5 — CID 117445927

IUPAC2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid
SMILESCOCc1cc2c(cc1C1(CC(=O)O)CC1)OCCO2
InChIInChI=1S/C15H18O5/c1-18-9-10-6-12-13(20-5-4-19-12)7-11(10)15(2-3-15)8-14(16)17/h6-7H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyVUFRFPDVYOULFW-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.11
Rot. Bonds5

About 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid

2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid (PubChem CID 117445927) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid
PubChem CID117445927
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid
SMILESCOCc1cc2c(cc1C1(CC(=O)O)CC1)OCCO2
InChIInChI=1S/C15H18O5/c1-18-9-10-6-12-13(20-5-4-19-12)7-11(10)15(2-3-15)8-14(16)17/h6-7H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyVUFRFPDVYOULFW-UHFFFAOYSA-N
XLogP2.11
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117424192
[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclobutyl]methanamine
CID 117412717
2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117481724
2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
2-[1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449948
1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclohexan-1-amine
CID 117444632
2-[1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449952
2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117344690
2-[1-[3-chloro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117389821
O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323149
2-[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetic acid
CID 117498112

Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid (CID 117445927) is 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid is COCc1cc2c(cc1C1(CC(=O)O)CC1)OCCO2.
What is the InChIKey of 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid?
The InChIKey is VUFRFPDVYOULFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-18-9-10-6-12-13(20-5-4-19-12)7-11(10)15(2-3-15)8-14(16)17/h6-7H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid?
2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid has a molecular weight of 278.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid is sourced from PubChem (CID 117445927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).