10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol

C18H11F3O2 — CID 145218568

IUPAC10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol
SMILESOC1c2cc(C(F)(F)F)ccc2Oc2ccc3ccccc3c21
InChIInChI=1S/C18H11F3O2/c19-18(20,21)11-6-8-14-13(9-11)17(22)16-12-4-2-1-3-10(12)5-7-15(16)23-14/h1-9,17,22H
InChIKeyAKSBKTUNWWKROY-UHFFFAOYSA-N
MW316.28 g/mol
LogP5.05
Rot. Bonds

About 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol

10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol (PubChem CID 145218568) has the molecular formula C18H11F3O2 and a molecular weight of 316.28 g/mol. Its IUPAC name is 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol.

Molecular Properties

Compound Name10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol
PubChem CID145218568
Molecular FormulaC18H11F3O2
Molecular Weight316.28 g/mol
Exact Mass316.07
IUPAC Name10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol
SMILESOC1c2cc(C(F)(F)F)ccc2Oc2ccc3ccccc3c21
InChIInChI=1S/C18H11F3O2/c19-18(20,21)11-6-8-14-13(9-11)17(22)16-12-4-2-1-3-10(12)5-7-15(16)23-14/h1-9,17,22H
InChIKeyAKSBKTUNWWKROY-UHFFFAOYSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.28
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran
CID 132583802
10-(trifluoromethyl)-12H-benzo[a]xanthene
CID 145218465
2-(trifluoromethyl)benzo[c]phenanthrene
CID 44623566
2-[4-(trifluoromethyl)benzoyl]-1,2-dihydrobenzo[f]chromen-3-one
CID 42637493
(3S,4R)-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromene-3,4-diol
CID 135066512
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
1-[(12S)-10-nitro-12H-benzo[a]xanthen-12-yl]naphthalen-2-ol
CID 97084293
7,14-dihydrobenzo[a]tetracen-14-ol
CID 177323910
(12S)-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
CID 24766854
2,11-bis(trifluoromethyl)picene
CID 88902337
2-imino-4-[3-(trifluoromethyl)phenyl]-3,4-dihydrobenzo[h]chromene-3-carbonitrile
CID 54373934
12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
CID 154964818

Frequently Asked Questions

What is the IUPAC name of 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol?
The IUPAC name of 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol (CID 145218568) is 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol.
What is the SMILES notation for 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol?
The canonical SMILES for 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol is OC1c2cc(C(F)(F)F)ccc2Oc2ccc3ccccc3c21.
What is the InChIKey of 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol?
The InChIKey is AKSBKTUNWWKROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3O2/c19-18(20,21)11-6-8-14-13(9-11)17(22)16-12-4-2-1-3-10(12)5-7-15(16)23-14/h1-9,17,22H.
What are the key properties of 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol?
10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol has a molecular weight of 316.28 g/mol, XLogP of 5.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol is sourced from PubChem (CID 145218568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).