[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate

C30H24O3 — CID 14362613

IUPAC[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C30H24O3/c1-2-23(20-10-4-3-5-11-20)30(32)33-27-19-17-22-13-7-9-15-25(22)29(27)28-24-14-8-6-12-21(24)16-18-26(28)31/h3-19,23,31H,2H2,1H3/t23-/m0/s1
InChIKeyYHBJFSYTSWGRFV-QHCPKHFHSA-N
MW432.52 g/mol
LogP7.46
Rot. Bonds5

About [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate

[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate (PubChem CID 14362613) has the molecular formula C30H24O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate.

Molecular Properties

Compound Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate
PubChem CID14362613
Molecular FormulaC30H24O3
Molecular Weight432.52 g/mol
Exact Mass432.17
IUPAC Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C30H24O3/c1-2-23(20-10-4-3-5-11-20)30(32)33-27-19-17-22-13-7-9-15-25(22)29(27)28-24-14-8-6-12-21(24)16-18-26(28)31/h3-19,23,31H,2H2,1H3/t23-/m0/s1
InChIKeyYHBJFSYTSWGRFV-QHCPKHFHSA-N
XLogP7.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 57.46
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

[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2R)-3-methyl-2-phenylbutanoate
CID 14362627
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2R)-2-(benzhydrylideneamino)propanoate
CID 11060399
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-bromohexadecanoate
CID 11467547
[4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate
CID 16663730
[1-(2-butanoyloxynaphthalen-1-yl)naphthalen-2-yl] butanoate
CID 11004443
formaldehyde;bis(phenyl 2-phenylbutanoate)
CID 174580951
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hypofluorite
CID 155278938
amino 2-phenylbutanoate
CID 21430295
1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
CID 22935839
1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
CID 56925391
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate?
The IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate (CID 14362613) is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate.
What is the SMILES notation for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate?
The canonical SMILES for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate is CC[C@H](C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate?
The InChIKey is YHBJFSYTSWGRFV-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H24O3/c1-2-23(20-10-4-3-5-11-20)30(32)33-27-19-17-22-13-7-9-15-25(22)29(27)28-24-14-8-6-12-21(24)16-18-26(28)31/h3-19,23,31H,2H2,1H3/t23-/m0/s1.
What are the key properties of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate?
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate has a molecular weight of 432.52 g/mol, XLogP of 7.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-phenylbutanoate is sourced from PubChem (CID 14362613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).