2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one

C26H24O3 — CID 56838146

IUPAC2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one
SMILESCC(C)c1ccc(C2C3=C(CCCC3=O)Oc3ccc4ccc(O)cc4c32)cc1
InChIInChI=1S/C26H24O3/c1-15(2)16-6-8-18(9-7-16)24-25-20-14-19(27)12-10-17(20)11-13-23(25)29-22-5-3-4-21(28)26(22)24/h6-15,24,27H,3-5H2,1-2H3
InChIKeyCSQOQPYGHQHTQC-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.20
Rot. Bonds2

About 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one

2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one (PubChem CID 56838146) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one.

Molecular Properties

Compound Name2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one
PubChem CID56838146
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Name2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one
SMILESCC(C)c1ccc(C2C3=C(CCCC3=O)Oc3ccc4ccc(O)cc4c32)cc1
InChIInChI=1S/C26H24O3/c1-15(2)16-6-8-18(9-7-16)24-25-20-14-19(27)12-10-17(20)11-13-23(25)29-22-5-3-4-21(28)26(22)24/h6-15,24,27H,3-5H2,1-2H3
InChIKeyCSQOQPYGHQHTQC-UHFFFAOYSA-N
XLogP6.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-9-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2,3,4,9-tetrahydroxanthen-1-one
CID 177491683
7-(3-hydroxyphenyl)-7,9,10,11-tetrahydronaphtho[1,2-b]chromen-8-one
CID 46210279
12-(3,4-dimethoxyphenyl)-3-hydroxy-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 102098013
(4S)-3-methyl-4-(4-propan-2-ylphenyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135925055
2-(4-hydroxyphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 145446897
ethyl (1S)-3-amino-1-(4-fluorophenyl)-9-hydroxy-1H-benzo[f]chromene-2-carboxylate
CID 1025841
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789
2-[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]acetamide
CID 126228292
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 6943950
methyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 679293
9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 704550
9,9-dimethyl-12-(4-nitrophenyl)-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 42642778

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one?
The IUPAC name of 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one (CID 56838146) is 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one.
What is the SMILES notation for 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one?
The canonical SMILES for 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one is CC(C)c1ccc(C2C3=C(CCCC3=O)Oc3ccc4ccc(O)cc4c32)cc1.
What is the InChIKey of 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one?
The InChIKey is CSQOQPYGHQHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3/c1-15(2)16-6-8-18(9-7-16)24-25-20-14-19(27)12-10-17(20)11-13-23(25)29-22-5-3-4-21(28)26(22)24/h6-15,24,27H,3-5H2,1-2H3.
What are the key properties of 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one?
2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one has a molecular weight of 384.48 g/mol, XLogP of 6.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one is sourced from PubChem (CID 56838146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).