5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid

C14H18O5 — CID 65159007

IUPAC5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
SMILESCOc1ccc(OCCC2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C14H18O5/c1-17-11-4-5-13(12(9-11)14(15)16)19-8-6-10-3-2-7-18-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyCQWCQNFYUPKGTF-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.34
Rot. Bonds6

About 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid

5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid (PubChem CID 65159007) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
PubChem CID65159007
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
SMILESCOc1ccc(OCCC2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C14H18O5/c1-17-11-4-5-13(12(9-11)14(15)16)19-8-6-10-3-2-7-18-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyCQWCQNFYUPKGTF-UHFFFAOYSA-N
XLogP2.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
4-bromo-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159009
(NE)-N-[1-[4-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002078
(2S)-2-[2-(4-methoxy-2-nitrophenoxy)ethyl]oxolane
CID 99826412
4-methyl-2-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65158770
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 65162887
(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
CID 82003088
3-methyl-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65158626
5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103132673

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid?
The IUPAC name of 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid (CID 65159007) is 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid is COc1ccc(OCCC2CCCO2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid?
The InChIKey is CQWCQNFYUPKGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-11-4-5-13(12(9-11)14(15)16)19-8-6-10-3-2-7-18-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid?
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 65159007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).