12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol

C23H16O4 — CID 129051407

IUPAC12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol
SMILESOc1ccc(C2c3cc(O)ccc3Oc3ccc4cc(O)ccc4c32)cc1
InChIInChI=1S/C23H16O4/c24-15-4-1-13(2-5-15)22-19-12-17(26)7-10-20(19)27-21-9-3-14-11-16(25)6-8-18(14)23(21)22/h1-12,22,24-26H
InChIKeyCJWNSHMXIAGZDC-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.24
Rot. Bonds1

About 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol

12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol (PubChem CID 129051407) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol.

Molecular Properties

Compound Name12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol
PubChem CID129051407
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol
SMILESOc1ccc(C2c3cc(O)ccc3Oc3ccc4cc(O)ccc4c32)cc1
InChIInChI=1S/C23H16O4/c24-15-4-1-13(2-5-15)22-19-12-17(26)7-10-20(19)27-21-9-3-14-11-16(25)6-8-18(14)23(21)22/h1-12,22,24-26H
InChIKeyCJWNSHMXIAGZDC-UHFFFAOYSA-N
XLogP5.24
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
ethane;2-(4-methylphenyl)-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 165028803
5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one
CID 18957401
9-(4-phenylphenyl)-9H-xanthene-2,7-diol
CID 118604834
2-(9H-carbazol-1-yl)-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 122550432
bismuthanylideneazanide;2-naphthalen-2-yl-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-6,20-diol
CID 158256354
3-ethenyl-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-1H-benzo[f]chromen-8-ol
CID 134271015
4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
CID 45258388
2-(4-phenanthren-9-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578169
tert-butyl [2-(3-iodophenyl)-19-[(2-methylpropan-2-yl)oxycarbonyloxy]-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-decaen-7-yl] carbonate;2-(3-iodophenyl)-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 163726075
2-[4-[(3S)-5-hydroxy-2-oxo-3H-1-benzofuran-3-yl]phenoxy]acetic acid
CID 99637745
12-methyl-3-(4-methyl-4-phenylcyclohexyl)-20-(4-phenylphenyl)-14,31-dioxaoctacyclo[16.16.0.02,15.04,13.05,10.019,32.021,30.022,27]tetratriaconta-1(18),2(15),4(13),5(10),6,8,11,16,19(32),21(30),22(27),23,25,28,33-pentadecaene-8,25-diol
CID 134218820

Frequently Asked Questions

What is the IUPAC name of 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol?
The IUPAC name of 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol (CID 129051407) is 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol.
What is the SMILES notation for 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol?
The canonical SMILES for 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol is Oc1ccc(C2c3cc(O)ccc3Oc3ccc4cc(O)ccc4c32)cc1.
What is the InChIKey of 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol?
The InChIKey is CJWNSHMXIAGZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O4/c24-15-4-1-13(2-5-15)22-19-12-17(26)7-10-20(19)27-21-9-3-14-11-16(25)6-8-18(14)23(21)22/h1-12,22,24-26H.
What are the key properties of 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol?
12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol has a molecular weight of 356.38 g/mol, XLogP of 5.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol is sourced from PubChem (CID 129051407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).