2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid

C14H18O4 — CID 105344934

IUPAC2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C14H18O4/c15-14(16)9-11-1-3-12(4-2-11)10-18-13-5-7-17-8-6-13/h1-4,13H,5-10H2,(H,15,16)
InChIKeyVTBYKYMKRXXIDG-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.01
Rot. Bonds5

About 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid

2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid (PubChem CID 105344934) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
PubChem CID105344934
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C14H18O4/c15-14(16)9-11-1-3-12(4-2-11)10-18-13-5-7-17-8-6-13/h1-4,13H,5-10H2,(H,15,16)
InChIKeyVTBYKYMKRXXIDG-UHFFFAOYSA-N
XLogP2.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325
4-phenylmethoxyoxane
CID 66554133
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
CID 168763654
CID 168763654
4-(oxan-4-yloxymethyl)benzonitrile
CID 55139138
5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 120695960
2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
CID 105351515
N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 59504749
5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120695954
methyl 2-(oxan-4-yloxymethyl)benzoate
CID 81434511
4-[[[2-(oxan-4-yloxymethyl)benzoyl]amino]methyl]benzoic acid
CID 119353331
2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
CID 105344863

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid (CID 105344934) is 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid is O=C(O)Cc1ccc(COC2CCOCC2)cc1.
What is the InChIKey of 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid?
The InChIKey is VTBYKYMKRXXIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c15-14(16)9-11-1-3-12(4-2-11)10-18-13-5-7-17-8-6-13/h1-4,13H,5-10H2,(H,15,16).
What are the key properties of 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid?
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid is sourced from PubChem (CID 105344934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).