(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol

C18H14OS — CID 13248494

IUPAC(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol
SMILESCc1ccc2sc3c4ccccc4cc(CO)c3c2c1
InChIInChI=1S/C18H14OS/c1-11-6-7-16-15(8-11)17-13(10-19)9-12-4-2-3-5-14(12)18(17)20-16/h2-9,19H,10H2,1H3
InChIKeyGZJBWZOBSZNYKW-UHFFFAOYSA-N
MW278.38 g/mol
LogP5.01
Rot. Bonds1

About (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol

(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol (PubChem CID 13248494) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol.

Molecular Properties

Compound Name(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol
PubChem CID13248494
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol
SMILESCc1ccc2sc3c4ccccc4cc(CO)c3c2c1
InChIInChI=1S/C18H14OS/c1-11-6-7-16-15(8-11)17-13(10-19)9-12-4-2-3-5-14(12)18(17)20-16/h2-9,19H,10H2,1H3
InChIKeyGZJBWZOBSZNYKW-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,10,17-trimethyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18-decaene
CID 134909158
9-methylnaphtho[1,2-b][1]benzothiole-6-carboxylic acid
CID 12813835
21-(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 139469544
5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene;8-methylnaphtho[1,2-b][1]benzothiole
CID 144754245
6-(chloromethyl)-1-methylnaphtho[1,2-b][1]benzothiole
CID 13248498
2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 130914616
[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol
CID 172649831
17-methyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117299
8-(3-methylphenyl)naphtho[2,1-b][1]benzothiole
CID 166880433
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925
2-methylbenzo[e][1]benzothiole
CID 13101461
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003

Frequently Asked Questions

What is the IUPAC name of (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol?
The IUPAC name of (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol (CID 13248494) is (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol.
What is the SMILES notation for (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol?
The canonical SMILES for (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol is Cc1ccc2sc3c4ccccc4cc(CO)c3c2c1.
What is the InChIKey of (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol?
The InChIKey is GZJBWZOBSZNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c1-11-6-7-16-15(8-11)17-13(10-19)9-12-4-2-3-5-14(12)18(17)20-16/h2-9,19H,10H2,1H3.
What are the key properties of (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol?
(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol has a molecular weight of 278.38 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol is sourced from PubChem (CID 13248494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).