cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate

C19H26O4 — CID 68869672

IUPACcyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate
SMILESO=C(OC1CCCC1)C(Cc1ccc(O)cc1)OC1CCCC1
InChIInChI=1S/C19H26O4/c20-15-11-9-14(10-12-15)13-18(22-16-5-1-2-6-16)19(21)23-17-7-3-4-8-17/h9-12,16-18,20H,1-8,13H2
InChIKeyBHHRRHWOEQSFHO-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.75
Rot. Bonds6

About cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate

cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate (PubChem CID 68869672) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namecyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate
PubChem CID68869672
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Namecyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate
SMILESO=C(OC1CCCC1)C(Cc1ccc(O)cc1)OC1CCCC1
InChIInChI=1S/C19H26O4/c20-15-11-9-14(10-12-15)13-18(22-16-5-1-2-6-16)19(21)23-17-7-3-4-8-17/h9-12,16-18,20H,1-8,13H2
InChIKeyBHHRRHWOEQSFHO-UHFFFAOYSA-N
XLogP3.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclohexyl 3-(4-hydroxyphenyl)propanoate
CID 13086547
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
CID 69387169
(2S)-2-amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxycyclohexyl]propanoic acid
CID 70505446
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
cyclohexyl (2S)-2-fluoro-3-phenylpropanoate
CID 166441227
3-(4-cyclopentyloxyphenyl)-2-methoxypropanoic acid;ethane;4-phenylphenol
CID 142194269
4-[(cyclopentyloxyamino)methyl]phenol
CID 83229024
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
4-(4-cyclopentyloxy-2-methylbutyl)phenol
CID 174631344

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate (CID 68869672) is cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate is O=C(OC1CCCC1)C(Cc1ccc(O)cc1)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate?
The InChIKey is BHHRRHWOEQSFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c20-15-11-9-14(10-12-15)13-18(22-16-5-1-2-6-16)19(21)23-17-7-3-4-8-17/h9-12,16-18,20H,1-8,13H2.
What are the key properties of cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate?
cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate has a molecular weight of 318.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 68869672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).