dinaphthalen-2-yl (2S)-2-hydroxybutanedioate

C24H18O5 — CID 101049041

IUPACdinaphthalen-2-yl (2S)-2-hydroxybutanedioate
SMILESO=C(C[C@H](O)C(=O)Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1
InChIInChI=1S/C24H18O5/c25-22(24(27)29-21-12-10-17-6-2-4-8-19(17)14-21)15-23(26)28-20-11-9-16-5-1-3-7-18(16)13-20/h1-14,22,25H,15H2/t22-/m0/s1
InChIKeyKZUDPYNCNQURFV-QFIPXVFZSA-N
MW386.40 g/mol
LogP4.26
Rot. Bonds5

About dinaphthalen-2-yl (2S)-2-hydroxybutanedioate

dinaphthalen-2-yl (2S)-2-hydroxybutanedioate (PubChem CID 101049041) has the molecular formula C24H18O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is dinaphthalen-2-yl (2S)-2-hydroxybutanedioate.

Molecular Properties

Compound Namedinaphthalen-2-yl (2S)-2-hydroxybutanedioate
PubChem CID101049041
Molecular FormulaC24H18O5
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Namedinaphthalen-2-yl (2S)-2-hydroxybutanedioate
SMILESO=C(C[C@H](O)C(=O)Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1
InChIInChI=1S/C24H18O5/c25-22(24(27)29-21-12-10-17-6-2-4-8-19(17)14-21)15-23(26)28-20-11-9-16-5-1-3-7-18(16)13-20/h1-14,22,25H,15H2/t22-/m0/s1
InChIKeyKZUDPYNCNQURFV-QFIPXVFZSA-N
XLogP4.26
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
naphthalen-2-yl 3-aminopropanoate
CID 82113672
naphthalen-2-yl 3-sulfanylpropanoate
CID 169079274
naphthalen-2-yl 4-bromobutanoate
CID 532375
naphthalen-2-yl 2-nitroacetate
CID 139660327
2-naphthalen-2-yloxy-2-oxoethanesulfonic acid
CID 121308554
naphthalen-2-yl 4-chlorobutanoate
CID 532367
1-O-(2-methylpropyl) 7-O-naphthalen-2-yl heptanedioate
CID 91718854
1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate
CID 91718888
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-2-yl (2S)-2-hydroxybutanedioate?
The IUPAC name of dinaphthalen-2-yl (2S)-2-hydroxybutanedioate (CID 101049041) is dinaphthalen-2-yl (2S)-2-hydroxybutanedioate.
What is the SMILES notation for dinaphthalen-2-yl (2S)-2-hydroxybutanedioate?
The canonical SMILES for dinaphthalen-2-yl (2S)-2-hydroxybutanedioate is O=C(C[C@H](O)C(=O)Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1.
What is the InChIKey of dinaphthalen-2-yl (2S)-2-hydroxybutanedioate?
The InChIKey is KZUDPYNCNQURFV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H18O5/c25-22(24(27)29-21-12-10-17-6-2-4-8-19(17)14-21)15-23(26)28-20-11-9-16-5-1-3-7-18(16)13-20/h1-14,22,25H,15H2/t22-/m0/s1.
What are the key properties of dinaphthalen-2-yl (2S)-2-hydroxybutanedioate?
dinaphthalen-2-yl (2S)-2-hydroxybutanedioate has a molecular weight of 386.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-2-yl (2S)-2-hydroxybutanedioate is sourced from PubChem (CID 101049041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).