2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid

C14H18O4 — CID 117379181

IUPAC2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
SMILESCOc1ccc(C2CCOCC2)cc1CC(=O)O
InChIInChI=1S/C14H18O4/c1-17-13-3-2-11(8-12(13)9-14(15)16)10-4-6-18-7-5-10/h2-3,8,10H,4-7,9H2,1H3,(H,15,16)
InChIKeyBIXLUPUYYVPOBA-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.22
Rot. Bonds4

About 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid

2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid (PubChem CID 117379181) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
PubChem CID117379181
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
SMILESCOc1ccc(C2CCOCC2)cc1CC(=O)O
InChIInChI=1S/C14H18O4/c1-17-13-3-2-11(8-12(13)9-14(15)16)10-4-6-18-7-5-10/h2-3,8,10H,4-7,9H2,1H3,(H,15,16)
InChIKeyBIXLUPUYYVPOBA-UHFFFAOYSA-N
XLogP2.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117447910
1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117408208
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117415323
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
CID 117467793
2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
CID 117381624
1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone
CID 117376242
3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
CID 117413737
methyl 2-[4-(oxan-4-yl)-2-pyridinyl]acetate
CID 118627337
4-methoxy-3-(oxan-4-ylmethoxymethyl)benzoic acid
CID 62387265
4-[3-(1-isocyanatocyclopropyl)-4-methoxyphenyl]oxane
CID 117435813
3-[3-(oxan-4-yl)phenyl]sulfanylpropanoic acid
CID 91261408
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid (CID 117379181) is 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid is COc1ccc(C2CCOCC2)cc1CC(=O)O.
What is the InChIKey of 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid?
The InChIKey is BIXLUPUYYVPOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-13-3-2-11(8-12(13)9-14(15)16)10-4-6-18-7-5-10/h2-3,8,10H,4-7,9H2,1H3,(H,15,16).
What are the key properties of 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid?
2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid is sourced from PubChem (CID 117379181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).