(2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione

C33H26O4 — CID 134836560

IUPAC(2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione
SMILESO=C(c1ccccc1)[C@H](C[C@@H](Oc1ccccc1)C(=O)c1cccc2ccccc12)Oc1ccccc1
InChIInChI=1S/C33H26O4/c34-32(25-14-4-1-5-15-25)30(36-26-17-6-2-7-18-26)23-31(37-27-19-8-3-9-20-27)33(35)29-22-12-16-24-13-10-11-21-28(24)29/h1-22,30-31H,23H2/t30-,31+/m0/s1
InChIKeyYRDUGUXGQCLTGB-IOWSJCHKSA-N
MW486.57 g/mol
LogP7.19
Rot. Bonds10

About (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione

(2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione (PubChem CID 134836560) has the molecular formula C33H26O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name(2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione
PubChem CID134836560
Molecular FormulaC33H26O4
Molecular Weight486.57 g/mol
Exact Mass486.18
IUPAC Name(2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione
SMILESO=C(c1ccccc1)[C@H](C[C@@H](Oc1ccccc1)C(=O)c1cccc2ccccc12)Oc1ccccc1
InChIInChI=1S/C33H26O4/c34-32(25-14-4-1-5-15-25)30(36-26-17-6-2-7-18-26)23-31(37-27-19-8-3-9-20-27)33(35)29-22-12-16-24-13-10-11-21-28(24)29/h1-22,30-31H,23H2/t30-,31+/m0/s1
InChIKeyYRDUGUXGQCLTGB-IOWSJCHKSA-N
XLogP7.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one
CID 134838647
(1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate
CID 175494849
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
CID 43799769
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
4-(1-oxo-1-phenylbutan-2-yl)oxybenzonitrile
CID 62030456
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
2-(4-nitrophenoxy)-1-phenylbutan-1-one
CID 61031389
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione?
The IUPAC name of (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione (CID 134836560) is (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione.
What is the SMILES notation for (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione?
The canonical SMILES for (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione is O=C(c1ccccc1)[C@H](C[C@@H](Oc1ccccc1)C(=O)c1cccc2ccccc12)Oc1ccccc1.
What is the InChIKey of (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione?
The InChIKey is YRDUGUXGQCLTGB-IOWSJCHKSA-N. The full InChI is InChI=1S/C33H26O4/c34-32(25-14-4-1-5-15-25)30(36-26-17-6-2-7-18-26)23-31(37-27-19-8-3-9-20-27)33(35)29-22-12-16-24-13-10-11-21-28(24)29/h1-22,30-31H,23H2/t30-,31+/m0/s1.
What are the key properties of (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione?
(2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione has a molecular weight of 486.57 g/mol, XLogP of 7.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione is sourced from PubChem (CID 134836560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).