4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one

C13H14O3 — CID 4020148

IUPAC4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one
SMILESO=C1c2ccccc2CC2(O)CCCOC12
InChIInChI=1S/C13H14O3/c14-11-10-5-2-1-4-9(10)8-13(15)6-3-7-16-12(11)13/h1-2,4-5,12,15H,3,6-8H2
InChIKeyDHPNNQBUJMKFRS-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.34
Rot. Bonds

About 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one

4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one (PubChem CID 4020148) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one.

Molecular Properties

Compound Name4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one
PubChem CID4020148
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one
SMILESO=C1c2ccccc2CC2(O)CCCOC12
InChIInChI=1S/C13H14O3/c14-11-10-5-2-1-4-9(10)8-13(15)6-3-7-16-12(11)13/h1-2,4-5,12,15H,3,6-8H2
InChIKeyDHPNNQBUJMKFRS-UHFFFAOYSA-N
XLogP1.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile
CID 576312
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2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one
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(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
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CID 107135477
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
spiro[3H-indene-2,3'-piperidine]-1,2'-dione
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(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
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CID 90923684

Frequently Asked Questions

What is the IUPAC name of 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one?
The IUPAC name of 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one (CID 4020148) is 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one.
What is the SMILES notation for 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one?
The canonical SMILES for 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one is O=C1c2ccccc2CC2(O)CCCOC12.
What is the InChIKey of 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one?
The InChIKey is DHPNNQBUJMKFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-11-10-5-2-1-4-9(10)8-13(15)6-3-7-16-12(11)13/h1-2,4-5,12,15H,3,6-8H2.
What are the key properties of 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one?
4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one has a molecular weight of 218.25 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-hydroxy-3,4,5,10a-tetrahydro-2H-benzo[g]chromen-10-one is sourced from PubChem (CID 4020148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).