4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine

C25H29NO2 — CID 174788371

IUPAC4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine
SMILESCCC1C=CC=C[C@@]1(c1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C25H29NO2/c1-3-19-8-6-7-15-25(19,20-13-16-26-17-14-20)21-11-12-23(27-2)24(18-21)28-22-9-4-5-10-22/h6-8,11-19,22H,3-5,9-10H2,1-2H3/t19?,25-/m1/s1
InChIKeySEZSCYIUQGFCEL-OPEAARRCSA-N
MW375.51 g/mol
LogP5.85
Rot. Bonds6

About 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine

4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine (PubChem CID 174788371) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine.

Molecular Properties

Compound Name4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine
PubChem CID174788371
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine
SMILESCCC1C=CC=C[C@@]1(c1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C25H29NO2/c1-3-19-8-6-7-15-25(19,20-13-16-26-17-14-20)21-11-12-23(27-2)24(18-21)28-22-9-4-5-10-22/h6-8,11-19,22H,3-5,9-10H2,1-2H3/t19?,25-/m1/s1
InChIKeySEZSCYIUQGFCEL-OPEAARRCSA-N
XLogP5.85
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine?
The IUPAC name of 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine (CID 174788371) is 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine.
What is the SMILES notation for 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine?
The canonical SMILES for 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine is CCC1C=CC=C[C@@]1(c1ccncc1)c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine?
The InChIKey is SEZSCYIUQGFCEL-OPEAARRCSA-N. The full InChI is InChI=1S/C25H29NO2/c1-3-19-8-6-7-15-25(19,20-13-16-26-17-14-20)21-11-12-23(27-2)24(18-21)28-22-9-4-5-10-22/h6-8,11-19,22H,3-5,9-10H2,1-2H3/t19?,25-/m1/s1.
What are the key properties of 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine?
4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine has a molecular weight of 375.51 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethylcyclohexa-2,4-dien-1-yl]pyridine is sourced from PubChem (CID 174788371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).