cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate

C19H32O4 — CID 144555066

IUPACcyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate
SMILESCC.COC(=O)CCCc1ccccc1O.OCC1CCCC1
InChIInChI=1S/C11H14O3.C6H12O.C2H6/c1-14-11(13)8-4-6-9-5-2-3-7-10(9)12;7-5-6-3-1-2-4-6;1-2/h2-3,5,7,12H,4,6,8H2,1H3;6-7H,1-5H2;1-2H3
InChIKeyGIMBGYGQWSEQAH-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.08
Rot. Bonds5

About cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate

cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate (PubChem CID 144555066) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate.

Molecular Properties

Compound Namecyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate
PubChem CID144555066
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Namecyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate
SMILESCC.COC(=O)CCCc1ccccc1O.OCC1CCCC1
InChIInChI=1S/C11H14O3.C6H12O.C2H6/c1-14-11(13)8-4-6-9-5-2-3-7-10(9)12;7-5-6-3-1-2-4-6;1-2/h2-3,5,7,12H,4,6,8H2,1H3;6-7H,1-5H2;1-2H3
InChIKeyGIMBGYGQWSEQAH-UHFFFAOYSA-N
XLogP4.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate 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

ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
methyl 4-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]butanoate
CID 158877214
methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate
CID 43423411
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084
2-(2-cyclopentylethyl)phenol
CID 57085599
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
methyl 4-(2-hydroxy-3-iodophenyl)butanoate
CID 155290713
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
CID 43409761
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
methyl 3-[(2-hydroxyphenyl)methylamino]propanoate
CID 43139758

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate?
The IUPAC name of cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate (CID 144555066) is cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate.
What is the SMILES notation for cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate?
The canonical SMILES for cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate is CC.COC(=O)CCCc1ccccc1O.OCC1CCCC1.
What is the InChIKey of cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate?
The InChIKey is GIMBGYGQWSEQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C6H12O.C2H6/c1-14-11(13)8-4-6-9-5-2-3-7-10(9)12;7-5-6-3-1-2-4-6;1-2/h2-3,5,7,12H,4,6,8H2,1H3;6-7H,1-5H2;1-2H3.
What are the key properties of cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate?
cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate has a molecular weight of 324.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate is sourced from PubChem (CID 144555066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).