5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one

C23H24O3 — CID 66651978

IUPAC5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one
SMILESO=C1CCc2cc3c(cc2O1)C1CCCCC1C(c1ccc(O)cc1)C3
InChIInChI=1S/C23H24O3/c24-17-8-5-14(6-9-17)20-12-16-11-15-7-10-23(25)26-22(15)13-21(16)19-4-2-1-3-18(19)20/h5-6,8-9,11,13,18-20,24H,1-4,7,10,12H2
InChIKeyATRLGUBLJZWCHK-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.86
Rot. Bonds1

About 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one

5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one (PubChem CID 66651978) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one
PubChem CID66651978
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one
SMILESO=C1CCc2cc3c(cc2O1)C1CCCCC1C(c1ccc(O)cc1)C3
InChIInChI=1S/C23H24O3/c24-17-8-5-14(6-9-17)20-12-16-11-15-7-10-23(25)26-22(15)13-21(16)19-4-2-1-3-18(19)20/h5-6,8-9,11,13,18-20,24H,1-4,7,10,12H2
InChIKeyATRLGUBLJZWCHK-UHFFFAOYSA-N
XLogP4.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one?
The IUPAC name of 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one (CID 66651978) is 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one is O=C1CCc2cc3c(cc2O1)C1CCCCC1C(c1ccc(O)cc1)C3.
What is the InChIKey of 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one?
The InChIKey is ATRLGUBLJZWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c24-17-8-5-14(6-9-17)20-12-16-11-15-7-10-23(25)26-22(15)13-21(16)19-4-2-1-3-18(19)20/h5-6,8-9,11,13,18-20,24H,1-4,7,10,12H2.
What are the key properties of 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one?
5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one has a molecular weight of 348.44 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,8,9,12b-decahydronaphtho[2,1-g]chromen-10-one is sourced from PubChem (CID 66651978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).