[3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone

C23H16O5 — CID 167364837

IUPAC[3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(O)c(-c2cccc3cc(O)cc(O)c23)c1O
InChIInChI=1S/C23H16O5/c24-15-11-14-7-4-8-16(20(14)19(26)12-15)21-18(25)10-9-17(23(21)28)22(27)13-5-2-1-3-6-13/h1-12,24-26,28H
InChIKeyGWGAOXIZVWNMQX-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.56
Rot. Bonds3

About [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone

[3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone (PubChem CID 167364837) has the molecular formula C23H16O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone
PubChem CID167364837
Molecular FormulaC23H16O5
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name[3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(O)c(-c2cccc3cc(O)cc(O)c23)c1O
InChIInChI=1S/C23H16O5/c24-15-11-14-7-4-8-16(20(14)19(26)12-15)21-18(25)10-9-17(23(21)28)22(27)13-5-2-1-3-6-13/h1-12,24-26,28H
InChIKeyGWGAOXIZVWNMQX-UHFFFAOYSA-N
XLogP4.56
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride
CID 70538828
2-benzoyl-4,6-dihydroxybenzaldehyde
CID 21197183
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)
CID 158282674
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
(3,4-dihydroxy-2-nitrosophenyl)-phenylmethanone
CID 166883614
[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
CID 68746067
[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethanone
CID 15262738
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
CID 18720381
3-benzoyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 135589785
(8-benzoyl-2,7-dihydroxynaphthalen-1-yl)-phenylmethanone
CID 139061724

Frequently Asked Questions

What is the IUPAC name of [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone?
The IUPAC name of [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone (CID 167364837) is [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone?
The canonical SMILES for [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(O)c(-c2cccc3cc(O)cc(O)c23)c1O.
What is the InChIKey of [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone?
The InChIKey is GWGAOXIZVWNMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O5/c24-15-11-14-7-4-8-16(20(14)19(26)12-15)21-18(25)10-9-17(23(21)28)22(27)13-5-2-1-3-6-13/h1-12,24-26,28H.
What are the key properties of [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone?
[3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone has a molecular weight of 372.38 g/mol, XLogP of 4.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 167364837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).