[(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate

C19H20O3 — CID 125487195

IUPAC[(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
SMILESCC(=O)Oc1ccc2c(c1)CCC[C@@H]2Cc1ccc(O)cc1
InChIInChI=1S/C19H20O3/c1-13(20)22-18-9-10-19-15(3-2-4-16(19)12-18)11-14-5-7-17(21)8-6-14/h5-10,12,15,21H,2-4,11H2,1H3/t15-/m1/s1
InChIKeyXWEMFHRUQYJVKC-OAHLLOKOSA-N
MW296.37 g/mol
LogP3.98
Rot. Bonds3

About [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate

[(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate (PubChem CID 125487195) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate.

Molecular Properties

Compound Name[(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
PubChem CID125487195
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
SMILESCC(=O)Oc1ccc2c(c1)CCC[C@@H]2Cc1ccc(O)cc1
InChIInChI=1S/C19H20O3/c1-13(20)22-18-9-10-19-15(3-2-4-16(19)12-18)11-14-5-7-17(21)8-6-14/h5-10,12,15,21H,2-4,11H2,1H3/t15-/m1/s1
InChIKeyXWEMFHRUQYJVKC-OAHLLOKOSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.98
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

5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162650948
[5-(3-diazo-2-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
CID 85205369
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
methyl 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 57135196
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
CID 14181183
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
N-[4-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]cyclohexyl]acetamide
CID 99635785

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate?
The IUPAC name of [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate (CID 125487195) is [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate.
What is the SMILES notation for [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate?
The canonical SMILES for [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate is CC(=O)Oc1ccc2c(c1)CCC[C@@H]2Cc1ccc(O)cc1.
What is the InChIKey of [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate?
The InChIKey is XWEMFHRUQYJVKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20O3/c1-13(20)22-18-9-10-19-15(3-2-4-16(19)12-18)11-14-5-7-17(21)8-6-14/h5-10,12,15,21H,2-4,11H2,1H3/t15-/m1/s1.
What are the key properties of [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate?
[(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate has a molecular weight of 296.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate is sourced from PubChem (CID 125487195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).