4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid

C16H22O3 — CID 174180027

IUPAC4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid
SMILESCc1ccc(C(=O)O)cc1OC1(C(C)C)CCCC1
InChIInChI=1S/C16H22O3/c1-11(2)16(8-4-5-9-16)19-14-10-13(15(17)18)7-6-12(14)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyVQDOVRMNFRQHTQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.04
Rot. Bonds4

About 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid

4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid (PubChem CID 174180027) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid.

Molecular Properties

Compound Name4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid
PubChem CID174180027
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid
SMILESCc1ccc(C(=O)O)cc1OC1(C(C)C)CCCC1
InChIInChI=1S/C16H22O3/c1-11(2)16(8-4-5-9-16)19-14-10-13(15(17)18)7-6-12(14)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyVQDOVRMNFRQHTQ-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-propan-2-ylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
CID 170686014
3-(cyanomethoxy)-4-methylbenzoic acid
CID 60702565
3-(1-methoxy-2-methylpropoxy)-4-methylbenzoic acid
CID 174180041
3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid
CID 117096689
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
3-(3-amino-2-methyl-3-oxopropoxy)-4-methylbenzoic acid
CID 61379968
1,1,2,2-tetrafluoro-4-[4-iodo-3-(1-propan-2-ylcyclopentyl)oxybenzoyl]oxybutane-1-sulfonic acid
CID 171598070
3-(2,2-dimethylpropanoyloxy)-4-methylbenzoic acid
CID 174180006
3-(2-azaspiro[3.6]decan-2-yl)-4-methylbenzoic acid
CID 79686719
3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid
CID 117045757
4-methyl-3-prop-2-enoxybenzoic acid
CID 23510414
4-methyl-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 174180010

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid?
The IUPAC name of 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid (CID 174180027) is 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid.
What is the SMILES notation for 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid?
The canonical SMILES for 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid is Cc1ccc(C(=O)O)cc1OC1(C(C)C)CCCC1.
What is the InChIKey of 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid?
The InChIKey is VQDOVRMNFRQHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)16(8-4-5-9-16)19-14-10-13(15(17)18)7-6-12(14)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid?
4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid has a molecular weight of 262.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-propan-2-ylcyclopentyl)oxybenzoic acid is sourced from PubChem (CID 174180027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).