4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol

C21H16O4 — CID 140713689

IUPAC4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol
SMILESOc1ccc2c(O)ccc(Cc3ccc(O)c4ccc(O)cc34)c2c1
InChIInChI=1S/C21H16O4/c22-14-3-5-16-18(10-14)12(1-7-20(16)24)9-13-2-8-21(25)17-6-4-15(23)11-19(13)17/h1-8,10-11,22-25H,9H2
InChIKeyUQSCOCCIPJVFHT-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.41
Rot. Bonds2

About 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol

4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol (PubChem CID 140713689) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol.

Molecular Properties

Compound Name4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol
PubChem CID140713689
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol
SMILESOc1ccc2c(O)ccc(Cc3ccc(O)c4ccc(O)cc34)c2c1
InChIInChI=1S/C21H16O4/c22-14-3-5-16-18(10-14)12(1-7-20(16)24)9-13-2-8-21(25)17-6-4-15(23)11-19(13)17/h1-8,10-11,22-25H,9H2
InChIKeyUQSCOCCIPJVFHT-UHFFFAOYSA-N
XLogP4.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,6-dihydroxynaphthalen-2-yl)methyl]naphthalene-1,6-diol
CID 67893897
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
triphenylene-2,6,10-triol
CID 19043276
1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
CID 146469077
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588
2-(anthracen-1-ylmethyl)benzene-1,4-diol
CID 174668880
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;2,8-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;4,6-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
CID 158111333
2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 86005366
triphenylene-2,7-diol
CID 58078296
4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402

Frequently Asked Questions

What is the IUPAC name of 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol?
The IUPAC name of 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol (CID 140713689) is 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol.
What is the SMILES notation for 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol?
The canonical SMILES for 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol is Oc1ccc2c(O)ccc(Cc3ccc(O)c4ccc(O)cc34)c2c1.
What is the InChIKey of 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol?
The InChIKey is UQSCOCCIPJVFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c22-14-3-5-16-18(10-14)12(1-7-20(16)24)9-13-2-8-21(25)17-6-4-15(23)11-19(13)17/h1-8,10-11,22-25H,9H2.
What are the key properties of 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol?
4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol has a molecular weight of 332.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol is sourced from PubChem (CID 140713689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).