2-(4-methoxyphenyl)acetic acid;oxolane

C13H18O4 — CID 67598100

IUPAC2-(4-methoxyphenyl)acetic acid;oxolane
SMILESC1CCOC1.COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C9H10O3.C4H8O/c1-12-8-4-2-7(3-5-8)6-9(10)11;1-2-4-5-3-1/h2-5H,6H2,1H3,(H,10,11);1-4H2
InChIKeyWLCNNPMKAZSMBR-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-methoxyphenyl)acetic acid;oxolane

2-(4-methoxyphenyl)acetic acid;oxolane (PubChem CID 67598100) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)acetic acid;oxolane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)acetic acid;oxolane
PubChem CID67598100
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(4-methoxyphenyl)acetic acid;oxolane
SMILESC1CCOC1.COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C9H10O3.C4H8O/c1-12-8-4-2-7(3-5-8)6-9(10)11;1-2-4-5-3-1/h2-5H,6H2,1H3,(H,10,11);1-4H2
InChIKeyWLCNNPMKAZSMBR-UHFFFAOYSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trideuteriomethoxy)phenyl]acetic acid
CID 177182175
anisole;oxolane
CID 21469894
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
2-[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetic acid;dihydrochloride
CID 139735158
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
3-[2-(4-methoxyphenyl)ethyl]oxane-3-carboxylic acid
CID 103719445
butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid
CID 70282538
2-(4-methoxyphenyl)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
CID 134110294

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)acetic acid;oxolane?
The IUPAC name of 2-(4-methoxyphenyl)acetic acid;oxolane (CID 67598100) is 2-(4-methoxyphenyl)acetic acid;oxolane.
What is the SMILES notation for 2-(4-methoxyphenyl)acetic acid;oxolane?
The canonical SMILES for 2-(4-methoxyphenyl)acetic acid;oxolane is C1CCOC1.COc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)acetic acid;oxolane?
The InChIKey is WLCNNPMKAZSMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C4H8O/c1-12-8-4-2-7(3-5-8)6-9(10)11;1-2-4-5-3-1/h2-5H,6H2,1H3,(H,10,11);1-4H2.
What are the key properties of 2-(4-methoxyphenyl)acetic acid;oxolane?
2-(4-methoxyphenyl)acetic acid;oxolane has a molecular weight of 238.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)acetic acid;oxolane is sourced from PubChem (CID 67598100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).