9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene

C31H28O4 — CID 91286921

IUPAC9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene
SMILESCC(=O)OCC1c2ccccc2-c2ccccc21.COc1ccc2c(c1)C(C)c1ccccc1O2
InChIInChI=1S/C16H14O2.C15H14O2/c1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-10-12-5-3-4-6-14(12)17-15-8-7-11(16-2)9-13(10)15/h2-9,16H,10H2,1H3;3-10H,1-2H3
InChIKeyWCVZFYOYCTXRBI-UHFFFAOYSA-N
MW464.56 g/mol
LogP7.31
Rot. Bonds3

About 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene

9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene (PubChem CID 91286921) has the molecular formula C31H28O4 and a molecular weight of 464.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene
PubChem CID91286921
Molecular FormulaC31H28O4
Molecular Weight464.56 g/mol
Exact Mass464.20
IUPAC Name9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene
SMILESCC(=O)OCC1c2ccccc2-c2ccccc21.COc1ccc2c(c1)C(C)c1ccccc1O2
InChIInChI=1S/C16H14O2.C15H14O2/c1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-10-12-5-3-4-6-14(12)17-15-8-7-11(16-2)9-13(10)15/h2-9,16H,10H2,1H3;3-10H,1-2H3
InChIKeyWCVZFYOYCTXRBI-UHFFFAOYSA-N
XLogP7.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate
CID 90974538
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methoxy-9H-xanthen-9-yl)sulfanyl]propanoic acid
CID 15342007
1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate
CID 91382042
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate
CID 141038963
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 57188934
(2S)-2-[amino-(3-methoxyphenyl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57363693
(2-methoxy-9H-xanthen-9-yl)-triphenylphosphanium
CID 102414096
2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 52982914
9-methyl-9H-xanthene;propane
CID 143256907
(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)propanoic acid
CID 91810266
ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate
CID 132522989

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene?
The IUPAC name of 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene (CID 91286921) is 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene.
What is the SMILES notation for 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene?
The canonical SMILES for 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene is CC(=O)OCC1c2ccccc2-c2ccccc21.COc1ccc2c(c1)C(C)c1ccccc1O2.
What is the InChIKey of 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene?
The InChIKey is WCVZFYOYCTXRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C15H14O2/c1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-10-12-5-3-4-6-14(12)17-15-8-7-11(16-2)9-13(10)15/h2-9,16H,10H2,1H3;3-10H,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene?
9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene has a molecular weight of 464.56 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene is sourced from PubChem (CID 91286921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).