5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol

C24H30O3 — CID 134419080

IUPAC5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol
SMILESCCOc1ccc(C2COc3c(c(C)cc4c3CCC(C)(C)C4)C2)c(O)c1
InChIInChI=1S/C24H30O3/c1-5-26-18-6-7-19(22(25)12-18)17-11-21-15(2)10-16-13-24(3,4)9-8-20(16)23(21)27-14-17/h6-7,10,12,17,25H,5,8-9,11,13-14H2,1-4H3
InChIKeyCNTUEHVEHKOCLE-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.33
Rot. Bonds3

About 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol

5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol (PubChem CID 134419080) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol.

Molecular Properties

Compound Name5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol
PubChem CID134419080
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol
SMILESCCOc1ccc(C2COc3c(c(C)cc4c3CCC(C)(C)C4)C2)c(O)c1
InChIInChI=1S/C24H30O3/c1-5-26-18-6-7-19(22(25)12-18)17-11-21-15(2)10-16-13-24(3,4)9-8-20(16)23(21)27-14-17/h6-7,10,12,17,25H,5,8-9,11,13-14H2,1-4H3
InChIKeyCNTUEHVEHKOCLE-UHFFFAOYSA-N
XLogP5.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol?
The IUPAC name of 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol (CID 134419080) is 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol.
What is the SMILES notation for 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol?
The canonical SMILES for 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol is CCOc1ccc(C2COc3c(c(C)cc4c3CCC(C)(C)C4)C2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol?
The InChIKey is CNTUEHVEHKOCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c1-5-26-18-6-7-19(22(25)12-18)17-11-21-15(2)10-16-13-24(3,4)9-8-20(16)23(21)27-14-17/h6-7,10,12,17,25H,5,8-9,11,13-14H2,1-4H3.
What are the key properties of 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol?
5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol has a molecular weight of 366.50 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol is sourced from PubChem (CID 134419080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).