6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol

C22H18O2 — CID 153453254

IUPAC6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
SMILESCc1c(O)ccc2cc(-c3ccc4c(C)c(O)ccc4c3)ccc12
InChIInChI=1S/C22H18O2/c1-13-19-7-3-15(11-17(19)5-9-21(13)23)16-4-8-20-14(2)22(24)10-6-18(20)12-16/h3-12,23-24H,1-2H3
InChIKeyLZZTVWXLZVYGLY-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.69
Rot. Bonds1

About 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol

6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol (PubChem CID 153453254) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol.

Molecular Properties

Compound Name6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
PubChem CID153453254
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
SMILESCc1c(O)ccc2cc(-c3ccc4c(C)c(O)ccc4c3)ccc12
InChIInChI=1S/C22H18O2/c1-13-19-7-3-15(11-17(19)5-9-21(13)23)16-4-8-20-14(2)22(24)10-6-18(20)12-16/h3-12,23-24H,1-2H3
InChIKeyLZZTVWXLZVYGLY-UHFFFAOYSA-N
XLogP5.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
heptadecacyclo[59.3.1.12,6.113,17.118,22.129,33.134,38.145,49.150,54.05,10.09,14.021,26.025,30.037,42.041,46.053,58.057,62]doheptaconta-1(65),2(72),3,5,7,9,11,13,15,17(71),18(70),19,21,23,25,27,29,31,33(69),34(68),35,37,39,41,43,45,47,49(67),50(66),51,53,55,57,59,61,63-hexatriacontaene
CID 164669270
4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
CID 90294470
1,5,6,7-tetramethylphenanthren-2-ol
CID 102469383
1,6-dimethylpyrene-2,7-diol
CID 11129112
2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid
CID 20736900
1,2-dimethyl-6-(3-methylphenyl)naphthalene
CID 58239617
2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde
CID 126763706
1-(2-hydroxynaphthalen-1-yl)-3-methyl-6-phenylnaphthalen-2-ol
CID 58219531
6-(4-hydroxy-3-methoxyphenyl)naphthalen-1-ol
CID 56648216
1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol
CID 160998401
5-(8-hydroxynaphthalen-2-yl)-2-methylbenzene-1,3-diol
CID 142118517

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol?
The IUPAC name of 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol (CID 153453254) is 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol.
What is the SMILES notation for 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol?
The canonical SMILES for 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol is Cc1c(O)ccc2cc(-c3ccc4c(C)c(O)ccc4c3)ccc12.
What is the InChIKey of 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol?
The InChIKey is LZZTVWXLZVYGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-13-19-7-3-15(11-17(19)5-9-21(13)23)16-4-8-20-14(2)22(24)10-6-18(20)12-16/h3-12,23-24H,1-2H3.
What are the key properties of 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol?
6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol has a molecular weight of 314.38 g/mol, XLogP of 5.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol is sourced from PubChem (CID 153453254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).