5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol

C21H16O2 — CID 153324996

IUPAC5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2c(Cc3cccc4cc(O)ccc34)cccc2c1
InChIInChI=1S/C21H16O2/c22-18-7-9-20-14(3-1-5-16(20)12-18)11-15-4-2-6-17-13-19(23)8-10-21(15)17/h1-10,12-13,22-23H,11H2
InChIKeyKJFCFMGWIBGQBN-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.99
Rot. Bonds2

About 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol

5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol (PubChem CID 153324996) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
PubChem CID153324996
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2c(Cc3cccc4cc(O)ccc34)cccc2c1
InChIInChI=1S/C21H16O2/c22-18-7-9-20-14(3-1-5-16(20)12-18)11-15-4-2-6-17-13-19(23)8-10-21(15)17/h1-10,12-13,22-23H,11H2
InChIKeyKJFCFMGWIBGQBN-UHFFFAOYSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(anthracen-1-ylmethyl)benzene-1,4-diol
CID 174668880
2-[(1,6-dihydroxynaphthalen-2-yl)methyl]naphthalene-1,6-diol
CID 67893897
3-(6-hydroxynaphthalen-1-yl)propane-1-sulfonic acid
CID 175218357
CID 66760372
CID 66760372
5-(methylamino)naphthalen-2-ol
CID 74890550
5-(naphthalen-1-ylmethyl)benzene-1,3-diol
CID 10658318
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
CID 126550127
8-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
CID 22833442
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
naphthalene-1,2-diol;naphthalene-1,6-diol
CID 160740349
4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol
CID 140713689
5-propan-2-ylnaphthalen-2-ol
CID 19011144

Frequently Asked Questions

What is the IUPAC name of 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol (CID 153324996) is 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol is Oc1ccc2c(Cc3cccc4cc(O)ccc34)cccc2c1.
What is the InChIKey of 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The InChIKey is KJFCFMGWIBGQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-18-7-9-20-14(3-1-5-16(20)12-18)11-15-4-2-6-17-13-19(23)8-10-21(15)17/h1-10,12-13,22-23H,11H2.
What are the key properties of 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol has a molecular weight of 300.36 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 153324996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).