6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol

C17H14O5 — CID 163465099

IUPAC6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol
SMILESCc1ccc2c(-c3c(O)c(O)c(O)c(O)c3O)cccc2c1
InChIInChI=1S/C17H14O5/c1-8-5-6-10-9(7-8)3-2-4-11(10)12-13(18)15(20)17(22)16(21)14(12)19/h2-7,18-22H,1H3
InChIKeyBRWMRHDJTXWODL-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.34
Rot. Bonds1

About 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol

6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol (PubChem CID 163465099) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol
PubChem CID163465099
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol
SMILESCc1ccc2c(-c3c(O)c(O)c(O)c(O)c3O)cccc2c1
InChIInChI=1S/C17H14O5/c1-8-5-6-10-9(7-8)3-2-4-11(10)12-13(18)15(20)17(22)16(21)14(12)19/h2-7,18-22H,1H3
InChIKeyBRWMRHDJTXWODL-UHFFFAOYSA-N
XLogP3.34
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-6-methylnaphthalene
CID 140744317
16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 59090434
4-(6-methylnaphthalen-1-yl)benzoic acid
CID 139920032
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)
CID 22604879
5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol
CID 90474539
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
CID 136592861
1-tert-butyl-6-methylnaphthalene
CID 3019596
2,7-dimethylphenanthrene;ethane
CID 91503011
1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
CID 161395588

Frequently Asked Questions

What is the IUPAC name of 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol (CID 163465099) is 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol is Cc1ccc2c(-c3c(O)c(O)c(O)c(O)c3O)cccc2c1.
What is the InChIKey of 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol?
The InChIKey is BRWMRHDJTXWODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-8-5-6-10-9(7-8)3-2-4-11(10)12-13(18)15(20)17(22)16(21)14(12)19/h2-7,18-22H,1H3.
What are the key properties of 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol?
6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol has a molecular weight of 298.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 163465099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).