2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid

C16H22O5 — CID 103156154

IUPAC2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
SMILESCOc1ccc(OCC(O)CC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H22O5/c1-20-13-6-7-15(14(9-13)16(18)19)21-10-12(17)8-11-4-2-3-5-11/h6-7,9,11-12,17H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyWWWAWVYLNAQVPO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.71
Rot. Bonds7

About 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid

2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid (PubChem CID 103156154) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
PubChem CID103156154
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
SMILESCOc1ccc(OCC(O)CC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H22O5/c1-20-13-6-7-15(14(9-13)16(18)19)21-10-12(17)8-11-4-2-3-5-11/h6-7,9,11-12,17H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyWWWAWVYLNAQVPO-UHFFFAOYSA-N
XLogP2.71
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103156157
3-bromo-4-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103158705
1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
CID 103158590
5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
1-cyclopentyl-3-(4-ethyl-2-methoxyphenoxy)propan-2-ol
CID 103260703
5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103132673
1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol
CID 103156690
2-butoxy-5-methoxybenzoic acid
CID 43213162
3,5-dichloro-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103158696
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid?
The IUPAC name of 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid (CID 103156154) is 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid?
The canonical SMILES for 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid is COc1ccc(OCC(O)CC2CCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid?
The InChIKey is WWWAWVYLNAQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-20-13-6-7-15(14(9-13)16(18)19)21-10-12(17)8-11-4-2-3-5-11/h6-7,9,11-12,17H,2-5,8,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid?
2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid is sourced from PubChem (CID 103156154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).