3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid

C17H24O4 — CID 117472193

IUPAC3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid
SMILESCOc1cc(C(C)(C)CC(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C17H24O4/c1-17(2,11-16(18)19)12-8-9-14(15(10-12)20-3)21-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyQEDLMNQFUCBLSB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.77
Rot. Bonds6

About 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid

3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid (PubChem CID 117472193) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid
PubChem CID117472193
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid
SMILESCOc1cc(C(C)(C)CC(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C17H24O4/c1-17(2,11-16(18)19)12-8-9-14(15(10-12)20-3)21-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyQEDLMNQFUCBLSB-UHFFFAOYSA-N
XLogP3.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117446285
3-[3-methoxy-4-(thietan-3-yloxy)phenyl]-3-methylbutanoic acid
CID 117477703
3-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-3-methylbutanoic acid
CID 117495401
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]-3-methylbutanoic acid
CID 117473397
(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid
CID 70066184
3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-3-methylbutanoic acid
CID 117477574
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
CID 117469213
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide
CID 56987832
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
CID 120532543
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid (CID 117472193) is 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid is COc1cc(C(C)(C)CC(=O)O)ccc1OC1CCCC1.
What is the InChIKey of 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid?
The InChIKey is QEDLMNQFUCBLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-17(2,11-16(18)19)12-8-9-14(15(10-12)20-3)21-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid?
3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117472193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).