4,5,7-trihydroxy-1H-naphthalen-2-one

C10H8O4 — CID 101080716

IUPAC4,5,7-trihydroxy-1H-naphthalen-2-one
SMILESO=C1C=C(O)c2c(O)cc(O)cc2C1
InChIInChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3-4,11,13-14H,2H2
InChIKeyPUIOWUWQRFTDGB-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.12
Rot. Bonds

About 4,5,7-trihydroxy-1H-naphthalen-2-one

4,5,7-trihydroxy-1H-naphthalen-2-one (PubChem CID 101080716) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4,5,7-trihydroxy-1H-naphthalen-2-one.

Molecular Properties

Compound Name4,5,7-trihydroxy-1H-naphthalen-2-one
PubChem CID101080716
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name4,5,7-trihydroxy-1H-naphthalen-2-one
SMILESO=C1C=C(O)c2c(O)cc(O)cc2C1
InChIInChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3-4,11,13-14H,2H2
InChIKeyPUIOWUWQRFTDGB-UHFFFAOYSA-N
XLogP1.12
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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14,16-dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),8,13,15-tetraene-2,10-dione
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CID 59743074
(4R,6R,8S,10S,11Z)-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
CID 162917083
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CID 163864150
14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione
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(4R,6R,8R,9Z,11E)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CID 6440561
(4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CID 91531409
(6E,10E)-16,18-dihydroxy-12-imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
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CID 163037258
(3S)-6,8-dihydroxy-3-phenyl-3,4-dihydroisochromen-1-one
CID 10400162

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trihydroxy-1H-naphthalen-2-one?
The IUPAC name of 4,5,7-trihydroxy-1H-naphthalen-2-one (CID 101080716) is 4,5,7-trihydroxy-1H-naphthalen-2-one.
What is the SMILES notation for 4,5,7-trihydroxy-1H-naphthalen-2-one?
The canonical SMILES for 4,5,7-trihydroxy-1H-naphthalen-2-one is O=C1C=C(O)c2c(O)cc(O)cc2C1.
What is the InChIKey of 4,5,7-trihydroxy-1H-naphthalen-2-one?
The InChIKey is PUIOWUWQRFTDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3-4,11,13-14H,2H2.
What are the key properties of 4,5,7-trihydroxy-1H-naphthalen-2-one?
4,5,7-trihydroxy-1H-naphthalen-2-one has a molecular weight of 192.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trihydroxy-1H-naphthalen-2-one is sourced from PubChem (CID 101080716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).