naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate

C17H18O3 — CID 91093262

IUPACnaphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate
SMILESO=C(CC1(O)CCCC1)Oc1cccc2ccccc12
InChIInChI=1S/C17H18O3/c18-16(12-17(19)10-3-4-11-17)20-15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,19H,3-4,10-12H2
InChIKeyXVGDZXWXCPICDS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.44
Rot. Bonds3

About naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate

naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate (PubChem CID 91093262) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate
PubChem CID91093262
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namenaphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate
SMILESO=C(CC1(O)CCCC1)Oc1cccc2ccccc12
InChIInChI=1S/C17H18O3/c18-16(12-17(19)10-3-4-11-17)20-15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,19H,3-4,10-12H2
InChIKeyXVGDZXWXCPICDS-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-(1-hydroxycyclohexyl)acetate
CID 57448980
naphthalen-1-yl 2-chloroacetate
CID 588968
dinaphthalen-1-yl dodecanedioate
CID 14512922
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
N'-[2-(1-hydroxycyclopentyl)acetyl]naphthalene-1-carbohydrazide
CID 111540138
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl 2-methoxyacetate
CID 19894343
2-(1-hydroxycyclopentyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 111536548
naphthalen-1-yl 2-methoxyacetate;hydrochloride
CID 19894342
2-(2-naphthalen-1-yloxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 90074566
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate?
The IUPAC name of naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate (CID 91093262) is naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate.
What is the SMILES notation for naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate?
The canonical SMILES for naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate is O=C(CC1(O)CCCC1)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate?
The InChIKey is XVGDZXWXCPICDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-16(12-17(19)10-3-4-11-17)20-15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,19H,3-4,10-12H2.
What are the key properties of naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate?
naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate has a molecular weight of 270.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate is sourced from PubChem (CID 91093262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).