(7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one

C19H18O3 — CID 139200671

IUPAC(7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one
SMILESCC1(C)CC(=O)C2=Cc3c(ccc4ccccc34)O[C@]2(O)C1
InChIInChI=1S/C19H18O3/c1-18(2)10-16(20)15-9-14-13-6-4-3-5-12(13)7-8-17(14)22-19(15,21)11-18/h3-9,21H,10-11H2,1-2H3/t19-/m1/s1
InChIKeyPAEZMFGOSZIRIQ-LJQANCHMSA-N
MW294.35 g/mol
LogP3.69
Rot. Bonds

About (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one

(7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one (PubChem CID 139200671) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one.

Molecular Properties

Compound Name(7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one
PubChem CID139200671
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one
SMILESCC1(C)CC(=O)C2=Cc3c(ccc4ccccc34)O[C@]2(O)C1
InChIInChI=1S/C19H18O3/c1-18(2)10-16(20)15-9-14-13-6-4-3-5-12(13)7-8-17(14)22-19(15,21)11-18/h3-9,21H,10-11H2,1-2H3/t19-/m1/s1
InChIKeyPAEZMFGOSZIRIQ-LJQANCHMSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-phenylbenzo[f]chromene
CID 10849806
(2S,10'R)-8'-chloro-10'-hydroxy-10'-[(2S)-3-oxopentan-2-yl]spiro[1H-benzo[e][1]benzofuran-2,11'-benzo[a]xanthene]-9'-one
CID 15701106
(2S,10'S)-8'-chloro-10'-hydroxy-10'-[(2S)-3-oxopentan-2-yl]spiro[1H-benzo[e][1]benzofuran-2,11'-benzo[a]xanthene]-9'-one
CID 15701105
2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene
CID 132570090
9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342894
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
CID 830125
2-methoxy-3,3-diphenylbenzo[f]chromene
CID 69344279
3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
CID 16643166
12-(2-hydroxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342720
9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
14,14-dimethyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 59790961

Frequently Asked Questions

What is the IUPAC name of (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one?
The IUPAC name of (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one (CID 139200671) is (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one.
What is the SMILES notation for (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one?
The canonical SMILES for (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one is CC1(C)CC(=O)C2=Cc3c(ccc4ccccc34)O[C@]2(O)C1.
What is the InChIKey of (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one?
The InChIKey is PAEZMFGOSZIRIQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18O3/c1-18(2)10-16(20)15-9-14-13-6-4-3-5-12(13)7-8-17(14)22-19(15,21)11-18/h3-9,21H,10-11H2,1-2H3/t19-/m1/s1.
What are the key properties of (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one?
(7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one has a molecular weight of 294.35 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one is sourced from PubChem (CID 139200671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).