3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol

C24H33NO3 — CID 90852715

IUPAC3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol
SMILESOc1ccc(CCn2c(O)c(C3CCCCC3)c(C3CCCCC3)c2O)cc1
InChIInChI=1S/C24H33NO3/c26-20-13-11-17(12-14-20)15-16-25-23(27)21(18-7-3-1-4-8-18)22(24(25)28)19-9-5-2-6-10-19/h11-14,18-19,26-28H,1-10,15-16H2
InChIKeyHCSGJLALPROUGB-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.94
Rot. Bonds5

About 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol

3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol (PubChem CID 90852715) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol
PubChem CID90852715
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol
SMILESOc1ccc(CCn2c(O)c(C3CCCCC3)c(C3CCCCC3)c2O)cc1
InChIInChI=1S/C24H33NO3/c26-20-13-11-17(12-14-20)15-16-25-23(27)21(18-7-3-1-4-8-18)22(24(25)28)19-9-5-2-6-10-19/h11-14,18-19,26-28H,1-10,15-16H2
InChIKeyHCSGJLALPROUGB-UHFFFAOYSA-N
XLogP5.94
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71457218
4-[2,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-3-yl]-3-fluorophenol
CID 71450113
4-[3,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71453712
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71457266
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71459076
4-[4,5-Bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71460882
4-[3,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
CID 71453711
4-[4,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
CID 71462585
4-[2-Ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol
CID 11132007
4-[1-Benzyl-4-(4-hydroxyphenyl)pyrrol-3-yl]phenol
CID 137631413
(E)-1-[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 155553778
1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854

Frequently Asked Questions

What is the IUPAC name of 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol?
The IUPAC name of 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol (CID 90852715) is 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol.
What is the SMILES notation for 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol?
The canonical SMILES for 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol is Oc1ccc(CCn2c(O)c(C3CCCCC3)c(C3CCCCC3)c2O)cc1.
What is the InChIKey of 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol?
The InChIKey is HCSGJLALPROUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c26-20-13-11-17(12-14-20)15-16-25-23(27)21(18-7-3-1-4-8-18)22(24(25)28)19-9-5-2-6-10-19/h11-14,18-19,26-28H,1-10,15-16H2.
What are the key properties of 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol?
3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol has a molecular weight of 383.53 g/mol, XLogP of 5.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclohexyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-diol is sourced from PubChem (CID 90852715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).