3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid

C14H18O4 — CID 117054021

IUPAC3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OC1(C)CCCC1
InChIInChI=1S/C14H18O4/c1-14(8-3-4-9-14)18-12-10(13(15)16)6-5-7-11(12)17-2/h5-7H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeyGHQXNDJHLRLBCZ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.10
Rot. Bonds4

About 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid

3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid (PubChem CID 117054021) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid.

Molecular Properties

Compound Name3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
PubChem CID117054021
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OC1(C)CCCC1
InChIInChI=1S/C14H18O4/c1-14(8-3-4-9-14)18-12-10(13(15)16)6-5-7-11(12)17-2/h5-7H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeyGHQXNDJHLRLBCZ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid
CID 117054046
1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone
CID 117052386
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
CID 11747408
2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid
CID 117045771
2-(3-methylpiperidin-3-yl)oxybenzoic acid
CID 117053969
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
CID 116520653
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066
3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid
CID 117045757
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127
2-(3-hydroxy-3-methylbutoxy)-3-methoxybenzoic acid
CID 79359631

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid?
The IUPAC name of 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid (CID 117054021) is 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid.
What is the SMILES notation for 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid?
The canonical SMILES for 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid is COc1cccc(C(=O)O)c1OC1(C)CCCC1.
What is the InChIKey of 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid?
The InChIKey is GHQXNDJHLRLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-14(8-3-4-9-14)18-12-10(13(15)16)6-5-7-11(12)17-2/h5-7H,3-4,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid?
3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid has a molecular weight of 250.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid is sourced from PubChem (CID 117054021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).