2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate

C23H22O2 — CID 101472479

IUPAC2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate
SMILESC=CC[C@@H](C(=O)OCCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22O2/c1-2-8-22(21-14-13-19-11-6-7-12-20(19)17-21)23(24)25-16-15-18-9-4-3-5-10-18/h2-7,9-14,17,22H,1,8,15-16H2/t22-/m1/s1
InChIKeyPSPMUWDEVLGTDJ-JOCHJYFZSA-N
MW330.43 g/mol
LogP5.29
Rot. Bonds7

About 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate

2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate (PubChem CID 101472479) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate.

Molecular Properties

Compound Name2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate
PubChem CID101472479
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate
SMILESC=CC[C@@H](C(=O)OCCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22O2/c1-2-8-22(21-14-13-19-11-6-7-12-20(19)17-21)23(24)25-16-15-18-9-4-3-5-10-18/h2-7,9-14,17,22H,1,8,15-16H2/t22-/m1/s1
InChIKeyPSPMUWDEVLGTDJ-JOCHJYFZSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-N'-propan-2-ylpent-4-enehydrazide
CID 165339340
[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate
CID 67366945
2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid
CID 21391762
2-phenylethyl (E)-3-naphthalen-2-ylprop-2-enoate
CID 138558211
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120567542
(3S)-3-naphthalen-2-yl-3-(prop-2-enoxycarbonylamino)propanoic acid
CID 167739374
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
2-naphthalen-2-ylbutanoic acid
CID 27266
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile
CID 71723503

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate?
The IUPAC name of 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate (CID 101472479) is 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate.
What is the SMILES notation for 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate?
The canonical SMILES for 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate is C=CC[C@@H](C(=O)OCCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate?
The InChIKey is PSPMUWDEVLGTDJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22O2/c1-2-8-22(21-14-13-19-11-6-7-12-20(19)17-21)23(24)25-16-15-18-9-4-3-5-10-18/h2-7,9-14,17,22H,1,8,15-16H2/t22-/m1/s1.
What are the key properties of 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate?
2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate has a molecular weight of 330.43 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate is sourced from PubChem (CID 101472479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).