(3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one

C24H24O4 — CID 10738299

IUPAC(3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one
SMILESCC1(C)O[C@@H]([C@H](O)CC(=O)c2ccc3ccccc3c2)[C@H](c2ccccc2)O1
InChIInChI=1S/C24H24O4/c1-24(2)27-22(17-9-4-3-5-10-17)23(28-24)21(26)15-20(25)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,21-23,26H,15H2,1-2H3/t21-,22+,23+/m1/s1
InChIKeyNVGJTDPIYIJUSS-VJBWXMMDSA-N
MW376.45 g/mol
LogP4.67
Rot. Bonds5

About (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one

(3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one (PubChem CID 10738299) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one
PubChem CID10738299
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one
SMILESCC1(C)O[C@@H]([C@H](O)CC(=O)c2ccc3ccccc3c2)[C@H](c2ccccc2)O1
InChIInChI=1S/C24H24O4/c1-24(2)27-22(17-9-4-3-5-10-17)23(28-24)21(26)15-20(25)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,21-23,26H,15H2,1-2H3/t21-,22+,23+/m1/s1
InChIKeyNVGJTDPIYIJUSS-VJBWXMMDSA-N
XLogP4.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10922889
naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
CID 10355976
3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
CID 116608473
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
2-methyl-4-naphthalen-2-yl-4-oxobutanenitrile
CID 53372806
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
methyl (E,4S)-4-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 10062811
(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one
CID 138969285
3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
CID 116614651
2-[(4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylethanone
CID 101010065
[(4R,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12023939

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one (CID 10738299) is (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one is CC1(C)O[C@@H]([C@H](O)CC(=O)c2ccc3ccccc3c2)[C@H](c2ccccc2)O1.
What is the InChIKey of (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one?
The InChIKey is NVGJTDPIYIJUSS-VJBWXMMDSA-N. The full InChI is InChI=1S/C24H24O4/c1-24(2)27-22(17-9-4-3-5-10-17)23(28-24)21(26)15-20(25)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,21-23,26H,15H2,1-2H3/t21-,22+,23+/m1/s1.
What are the key properties of (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one?
(3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one has a molecular weight of 376.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 10738299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).