5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole

C24H27NO3 — CID 142510042

IUPAC5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole
SMILESC=CC[C@@H](COCc1ccccc1)O[C@H](C=C)n1ccc2cc(OC)ccc21
InChIInChI=1S/C24H27NO3/c1-4-9-22(18-27-17-19-10-7-6-8-11-19)28-24(5-2)25-15-14-20-16-21(26-3)12-13-23(20)25/h4-8,10-16,22,24H,1-2,9,17-18H2,3H3/t22-,24+/m0/s1
InChIKeyWRAFCPRLIHOYEH-LADGPHEKSA-N
MW377.48 g/mol
LogP5.51
Rot. Bonds11

About 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole

5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole (PubChem CID 142510042) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole.

Molecular Properties

Compound Name5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole
PubChem CID142510042
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole
SMILESC=CC[C@@H](COCc1ccccc1)O[C@H](C=C)n1ccc2cc(OC)ccc21
InChIInChI=1S/C24H27NO3/c1-4-9-22(18-27-17-19-10-7-6-8-11-19)28-24(5-2)25-15-14-20-16-21(26-3)12-13-23(20)25/h4-8,10-16,22,24H,1-2,9,17-18H2,3H3/t22-,24+/m0/s1
InChIKeyWRAFCPRLIHOYEH-LADGPHEKSA-N
XLogP5.51
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole?
The IUPAC name of 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole (CID 142510042) is 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole.
What is the SMILES notation for 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole?
The canonical SMILES for 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole is C=CC[C@@H](COCc1ccccc1)O[C@H](C=C)n1ccc2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole?
The InChIKey is WRAFCPRLIHOYEH-LADGPHEKSA-N. The full InChI is InChI=1S/C24H27NO3/c1-4-9-22(18-27-17-19-10-7-6-8-11-19)28-24(5-2)25-15-14-20-16-21(26-3)12-13-23(20)25/h4-8,10-16,22,24H,1-2,9,17-18H2,3H3/t22-,24+/m0/s1.
What are the key properties of 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole?
5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole has a molecular weight of 377.48 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(1R)-1-[(2S)-1-phenylmethoxypent-4-en-2-yl]oxyprop-2-enyl]indole is sourced from PubChem (CID 142510042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).