1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol

C17H14O3 — CID 10015760

IUPAC1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol
SMILESCc1ccc(O)c(-c2c(O)ccc3cc(O)ccc23)c1
InChIInChI=1S/C17H14O3/c1-10-2-6-15(19)14(8-10)17-13-5-4-12(18)9-11(13)3-7-16(17)20/h2-9,18-20H,1H3
InChIKeyGSHMYSRHWPCWOI-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.93
Rot. Bonds1

About 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol

1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol (PubChem CID 10015760) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol
PubChem CID10015760
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol
SMILESCc1ccc(O)c(-c2c(O)ccc3cc(O)ccc23)c1
InChIInChI=1S/C17H14O3/c1-10-2-6-15(19)14(8-10)17-13-5-4-12(18)9-11(13)3-7-16(17)20/h2-9,18-20H,1H3
InChIKeyGSHMYSRHWPCWOI-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

1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
CID 121311364
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
1-(2-hydroxy-6-methylnaphthalen-1-yl)-3-[(3-hydroxy-7-methylnaphthalen-2-yl)methyl]-6-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol
CID 91113167
CID 159499865
CID 159499865
7-methylnaphthalen-2-ol
CID 67841093
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
CID 25037495
5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol
CID 90474539
1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol
CID 142805248
1-chloro-6-methylnaphthalen-2-ol
CID 90360576
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol (CID 10015760) is 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol is Cc1ccc(O)c(-c2c(O)ccc3cc(O)ccc23)c1.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol?
The InChIKey is GSHMYSRHWPCWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-10-2-6-15(19)14(8-10)17-13-5-4-12(18)9-11(13)3-7-16(17)20/h2-9,18-20H,1H3.
What are the key properties of 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol?
1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-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 1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol is sourced from PubChem (CID 10015760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).