1-butan-2-yl-3,4-dihydroxanthen-9-one

C17H18O2 — CID 10658605

IUPAC1-butan-2-yl-3,4-dihydroxanthen-9-one
SMILESCCC(C)C1=CCCc2oc3ccccc3c(=O)c21
InChIInChI=1S/C17H18O2/c1-3-11(2)12-8-6-10-15-16(12)17(18)13-7-4-5-9-14(13)19-15/h4-5,7-9,11H,3,6,10H2,1-2H3
InChIKeyMBCXVKGTMWGLRO-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.17
Rot. Bonds2

About 1-butan-2-yl-3,4-dihydroxanthen-9-one

1-butan-2-yl-3,4-dihydroxanthen-9-one (PubChem CID 10658605) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-butan-2-yl-3,4-dihydroxanthen-9-one.

Molecular Properties

Compound Name1-butan-2-yl-3,4-dihydroxanthen-9-one
PubChem CID10658605
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-butan-2-yl-3,4-dihydroxanthen-9-one
SMILESCCC(C)C1=CCCc2oc3ccccc3c(=O)c21
InChIInChI=1S/C17H18O2/c1-3-11(2)12-8-6-10-15-16(12)17(18)13-7-4-5-9-14(13)19-15/h4-5,7-9,11H,3,6,10H2,1-2H3
InChIKeyMBCXVKGTMWGLRO-UHFFFAOYSA-N
XLogP4.17
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-3,4-dihydrodibenzofuran
CID 144612953
(1E)-1-butylidene-3,4-dihydro-2H-xanthen-9-one
CID 10824843
propane;xanthen-9-one
CID 90876458
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
2,4-dihydro-1H-xanthene-3,9-dione
CID 102501574
2-ethyl-3-(4-fluorophenyl)chromen-4-one
CID 53234762
2,3-dihydroxanthen-9-one
CID 144768115
dibenzofuran;ethanol
CID 174821059
N-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-amine
CID 142408590
4-ethylxanthen-9-one
CID 15075530
2-(1-bromoethyl)-3-(4-fluorophenyl)chromen-4-one
CID 53234761
2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one
CID 68753375

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3,4-dihydroxanthen-9-one?
The IUPAC name of 1-butan-2-yl-3,4-dihydroxanthen-9-one (CID 10658605) is 1-butan-2-yl-3,4-dihydroxanthen-9-one.
What is the SMILES notation for 1-butan-2-yl-3,4-dihydroxanthen-9-one?
The canonical SMILES for 1-butan-2-yl-3,4-dihydroxanthen-9-one is CCC(C)C1=CCCc2oc3ccccc3c(=O)c21.
What is the InChIKey of 1-butan-2-yl-3,4-dihydroxanthen-9-one?
The InChIKey is MBCXVKGTMWGLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-11(2)12-8-6-10-15-16(12)17(18)13-7-4-5-9-14(13)19-15/h4-5,7-9,11H,3,6,10H2,1-2H3.
What are the key properties of 1-butan-2-yl-3,4-dihydroxanthen-9-one?
1-butan-2-yl-3,4-dihydroxanthen-9-one has a molecular weight of 254.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3,4-dihydroxanthen-9-one is sourced from PubChem (CID 10658605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).