5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol

C22H20O2 — CID 90474539

IUPAC5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol
SMILESCc1ccc2c(O)cccc2c1.Cc1cccc2cc(O)ccc12
InChIInChI=1S/2C11H10O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12;1-8-3-2-4-9-7-10(12)5-6-11(8)9/h2*2-7,12H,1H3
InChIKeyHOYPBHWNFAOMCI-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.71
Rot. Bonds

About 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol

5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol (PubChem CID 90474539) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol.

Molecular Properties

Compound Name5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol
PubChem CID90474539
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol
SMILESCc1ccc2c(O)cccc2c1.Cc1cccc2cc(O)ccc12
InChIInChI=1S/2C11H10O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12;1-8-3-2-4-9-7-10(12)5-6-11(8)9/h2*2-7,12H,1H3
InChIKeyHOYPBHWNFAOMCI-UHFFFAOYSA-N
XLogP5.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
CID 143742447
3-methylphenol;naphthalen-1-ol
CID 66623772
CID 159499865
CID 159499865
7-methylnaphthalen-2-ol
CID 67841093
1,6-dimethylnaphthalene;2,4,6-trinitrophenol
CID 71334987
1,6-dimethylanthracene;ethane
CID 142009331
naphthalene-1,2-diol;naphthalene-1,6-diol
CID 160740349
6-(2-methylphenyl)naphthalen-1-ol
CID 71167346
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
6-(4-hydroxyphenyl)naphthalen-1-ol
CID 10308021
1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;methane;1-(4-methylphenyl)ethanone
CID 160630866
6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol
CID 163465099

Frequently Asked Questions

What is the IUPAC name of 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol?
The IUPAC name of 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol (CID 90474539) is 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol.
What is the SMILES notation for 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol?
The canonical SMILES for 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol is Cc1ccc2c(O)cccc2c1.Cc1cccc2cc(O)ccc12.
What is the InChIKey of 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol?
The InChIKey is HOYPBHWNFAOMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12;1-8-3-2-4-9-7-10(12)5-6-11(8)9/h2*2-7,12H,1H3.
What are the key properties of 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol?
5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol has a molecular weight of 316.40 g/mol, XLogP of 5.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol is sourced from PubChem (CID 90474539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).