5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol

C17H14O3 — CID 142118517

IUPAC5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)cc(-c2ccc3cccc(O)c3c2)cc1O
InChIInChI=1S/C17H14O3/c1-10-16(19)8-13(9-17(10)20)12-6-5-11-3-2-4-15(18)14(11)7-12/h2-9,18-20H,1H3
InChIKeyVTHQTECQJOYSNT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.93
Rot. Bonds1

About 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol

5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol (PubChem CID 142118517) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol
PubChem CID142118517
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)cc(-c2ccc3cccc(O)c3c2)cc1O
InChIInChI=1S/C17H14O3/c1-10-16(19)8-13(9-17(10)20)12-6-5-11-3-2-4-15(18)14(11)7-12/h2-9,18-20H,1H3
InChIKeyVTHQTECQJOYSNT-UHFFFAOYSA-N
XLogP3.93
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalen-1-ol
CID 155969514
3-methylanthracene-1,2,4,8-tetrol
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3,6-bis(3,5-dimethylphenyl)phenanthrene
CID 91501927
6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
CID 153453254
2-methylbenzene-1,3-diol
CID 139200813
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
7-(2-aminopropan-2-yl)naphthalen-1-ol
CID 105453666
6-(4-hydroxyphenyl)naphthalen-1-ol
CID 10308021
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 118122906
7-(difluoromethyl)naphthalen-1-ol
CID 118803883
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914

Frequently Asked Questions

What is the IUPAC name of 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol?
The IUPAC name of 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol (CID 142118517) is 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol?
The canonical SMILES for 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol is Cc1c(O)cc(-c2ccc3cccc(O)c3c2)cc1O.
What is the InChIKey of 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol?
The InChIKey is VTHQTECQJOYSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-10-16(19)8-13(9-17(10)20)12-6-5-11-3-2-4-15(18)14(11)7-12/h2-9,18-20H,1H3.
What are the key properties of 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol?
5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol has a molecular weight of 266.30 g/mol, XLogP of 3.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 142118517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).