2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid

C14H18O4 — CID 65498044

IUPAC2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCOc1cc(C)ccc1OCC1(CC(=O)O)CC1
InChIInChI=1S/C14H18O4/c1-10-3-4-11(12(7-10)17-2)18-9-14(5-6-14)8-13(15)16/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyMDSFFORUBWNEHL-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.64
Rot. Bonds6

About 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65498044) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65498044
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCOc1cc(C)ccc1OCC1(CC(=O)O)CC1
InChIInChI=1S/C14H18O4/c1-10-3-4-11(12(7-10)17-2)18-9-14(5-6-14)8-13(15)16/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyMDSFFORUBWNEHL-UHFFFAOYSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65495933
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-methoxy-4-methylbenzene
CID 65008049
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65496144
[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002702
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
3-amino-4-(2-methoxy-4-methylphenoxy)butanoic acid
CID 112511333
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550
2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid
CID 79843985
1-[4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-methoxyphenyl]ethanone
CID 65008577
2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 113303039
(3S)-3-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]thiolane-3-carboxylic acid
CID 125148894

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid (CID 65498044) is 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid is COc1cc(C)ccc1OCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is MDSFFORUBWNEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-10-3-4-11(12(7-10)17-2)18-9-14(5-6-14)8-13(15)16/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).