2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid

C14H18O5 — CID 142421148

IUPAC2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
SMILESCOc1ccccc1C(OC1CCOCC1)C(=O)O
InChIInChI=1S/C14H18O5/c1-17-12-5-3-2-4-11(12)13(14(15)16)19-10-6-8-18-9-7-10/h2-5,10,13H,6-9H2,1H3,(H,15,16)
InChIKeyXGSMZSFUJIYEFC-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.02
Rot. Bonds5

About 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid

2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid (PubChem CID 142421148) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
PubChem CID142421148
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
SMILESCOc1ccccc1C(OC1CCOCC1)C(=O)O
InChIInChI=1S/C14H18O5/c1-17-12-5-3-2-4-11(12)13(14(15)16)19-10-6-8-18-9-7-10/h2-5,10,13H,6-9H2,1H3,(H,15,16)
InChIKeyXGSMZSFUJIYEFC-UHFFFAOYSA-N
XLogP2.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid
CID 175726239
4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid
CID 145363038
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 155671898
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 82091723
1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxylic acid
CID 137435831
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117415323

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid?
The IUPAC name of 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid (CID 142421148) is 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid is COc1ccccc1C(OC1CCOCC1)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid?
The InChIKey is XGSMZSFUJIYEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-12-5-3-2-4-11(12)13(14(15)16)19-10-6-8-18-9-7-10/h2-5,10,13H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid?
2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid has a molecular weight of 266.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid is sourced from PubChem (CID 142421148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).