12H-benzo[a]xanthene;hydrate

C17H14O2 — CID 174249358

IUPAC12H-benzo[a]xanthene;hydrate
SMILESO.c1ccc2c(c1)Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C17H12O.H2O/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17;/h1-10H,11H2;1H2
InChIKeyFWDDJJHIRUEQEO-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.71
Rot. Bonds

About 12H-benzo[a]xanthene;hydrate

12H-benzo[a]xanthene;hydrate (PubChem CID 174249358) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 12H-benzo[a]xanthene;hydrate.

Molecular Properties

Compound Name12H-benzo[a]xanthene;hydrate
PubChem CID174249358
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name12H-benzo[a]xanthene;hydrate
SMILESO.c1ccc2c(c1)Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C17H12O.H2O/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17;/h1-10H,11H2;1H2
InChIKeyFWDDJJHIRUEQEO-UHFFFAOYSA-N
XLogP3.71
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-naphthalen-1-yl-9H-xanthene
CID 90993396
10-(trifluoromethyl)-12H-benzo[a]xanthene
CID 145218465
9H-xanthene
CID 7107
anthracene;9H-xanthene
CID 141402821
1,2-dimethyl-9H-xanthene
CID 3016191
9H-xanthen-1-amine;hydrochloride
CID 175135192
1-bromo-9H-xanthene;9H-xanthene
CID 174712211
8,14-dihydrochromeno[2,3-a]xanthene;ethane;methanol
CID 158360982
trimethyl(9H-xanthen-1-yl)silane
CID 175828313
14-chloro-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
CID 20820440
biphenylene;9H-xanthene
CID 69049558
CID 70115484
CID 70115484

Frequently Asked Questions

What is the IUPAC name of 12H-benzo[a]xanthene;hydrate?
The IUPAC name of 12H-benzo[a]xanthene;hydrate (CID 174249358) is 12H-benzo[a]xanthene;hydrate.
What is the SMILES notation for 12H-benzo[a]xanthene;hydrate?
The canonical SMILES for 12H-benzo[a]xanthene;hydrate is O.c1ccc2c(c1)Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 12H-benzo[a]xanthene;hydrate?
The InChIKey is FWDDJJHIRUEQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O.H2O/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17;/h1-10H,11H2;1H2.
What are the key properties of 12H-benzo[a]xanthene;hydrate?
12H-benzo[a]xanthene;hydrate has a molecular weight of 250.30 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-benzo[a]xanthene;hydrate is sourced from PubChem (CID 174249358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).