(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate

C15H20O4 — CID 70901489

IUPAC(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC2CCC(C)(C)C2)ccc1O
InChIInChI=1S/C15H20O4/c1-15(2)7-6-11(9-15)19-14(17)10-4-5-12(16)13(8-10)18-3/h4-5,8,11,16H,6-7,9H2,1-3H3
InChIKeyPNRKRXWIHNUDFH-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.14
Rot. Bonds3

About (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate

(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate (PubChem CID 70901489) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate
PubChem CID70901489
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC2CCC(C)(C)C2)ccc1O
InChIInChI=1S/C15H20O4/c1-15(2)7-6-11(9-15)19-14(17)10-4-5-12(16)13(8-10)18-3/h4-5,8,11,16H,6-7,9H2,1-3H3
InChIKeyPNRKRXWIHNUDFH-UHFFFAOYSA-N
XLogP3.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,3R)-3-(4-hydroxy-3-methoxybenzoyl)oxycyclopentyl] 4-hydroxy-3-methoxybenzoate
CID 67003249
[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate
CID 67411034
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-methoxybenzoate
CID 933171
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxybenzoate
CID 114341556
[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-hydroxy-3-methoxybenzoate
CID 16760109
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 4-hydroxy-3-methoxybenzoate
CID 122423267
(8-formyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate
CID 162923228
(3,3,5-trimethylcyclohexyl) 4-amino-3-methoxybenzoate
CID 104783924
(4,9-dihydroxy-2,5,5,9-tetramethylcycloundec-2-en-1-yl) 4-hydroxy-3-methoxybenzoate
CID 163040266
[(3S,4S,8aR)-3,6,6,8a-tetramethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxy-3-methoxybenzoate
CID 71594139
3-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid
CID 139774973
(4,4-dimethylcyclohexyl) 3-amino-4-chlorobenzoate
CID 114341504

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate?
The IUPAC name of (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate (CID 70901489) is (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate.
What is the SMILES notation for (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate?
The canonical SMILES for (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate is COc1cc(C(=O)OC2CCC(C)(C)C2)ccc1O.
What is the InChIKey of (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate?
The InChIKey is PNRKRXWIHNUDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-15(2)7-6-11(9-15)19-14(17)10-4-5-12(16)13(8-10)18-3/h4-5,8,11,16H,6-7,9H2,1-3H3.
What are the key properties of (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate?
(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate has a molecular weight of 264.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 70901489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).