[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate

C31H28O3 — CID 146587686

IUPAC[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CCC2c2ccccc2)cc1
InChIInChI=1S/C31H28O3/c1-22(32)34-27-15-12-25(13-16-27)31-29(24-10-6-3-7-11-24)18-14-26-20-28(17-19-30(26)31)33-21-23-8-4-2-5-9-23/h2-13,15-17,19-20,29,31H,14,18,21H2,1H3/t29?,31-/m0/s1
InChIKeyAJNLYRZWWUJQIS-RDFOUATCSA-N
MW448.56 g/mol
LogP7.05
Rot. Bonds6

About [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate

[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate (PubChem CID 146587686) has the molecular formula C31H28O3 and a molecular weight of 448.56 g/mol. Its IUPAC name is [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
PubChem CID146587686
Molecular FormulaC31H28O3
Molecular Weight448.56 g/mol
Exact Mass448.20
IUPAC Name[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CCC2c2ccccc2)cc1
InChIInChI=1S/C31H28O3/c1-22(32)34-27-15-12-25(13-16-27)31-29(24-10-6-3-7-11-24)18-14-26-20-28(17-19-30(26)31)33-21-23-8-4-2-5-9-23/h2-13,15-17,19-20,29,31H,14,18,21H2,1H3/t29?,31-/m0/s1
InChIKeyAJNLYRZWWUJQIS-RDFOUATCSA-N
XLogP7.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetate
CID 167478416
methyl 4-oxo-5-[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentanoate
CID 134579575
4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide
CID 142367448
tert-butyl 4-[2-[4-[(1S,2R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]butanoate
CID 160912532
5-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentane-1,3-diol
CID 134580274
[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 142367521
bromomethane;chloromethane;ethane;1-[4-(4-methylpentoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 142368175
[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol
CID 134579644
5-[4-[(1R,2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 134580043
2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol
CID 134580068
fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane
CID 142368158
[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 164923584

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate?
The IUPAC name of [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate (CID 146587686) is [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate.
What is the SMILES notation for [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate?
The canonical SMILES for [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate is CC(=O)Oc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CCC2c2ccccc2)cc1.
What is the InChIKey of [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate?
The InChIKey is AJNLYRZWWUJQIS-RDFOUATCSA-N. The full InChI is InChI=1S/C31H28O3/c1-22(32)34-27-15-12-25(13-16-27)31-29(24-10-6-3-7-11-24)18-14-26-20-28(17-19-30(26)31)33-21-23-8-4-2-5-9-23/h2-13,15-17,19-20,29,31H,14,18,21H2,1H3/t29?,31-/m0/s1.
What are the key properties of [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate?
[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate has a molecular weight of 448.56 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate is sourced from PubChem (CID 146587686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).