2-naphtho[1,2-g][1]benzothiol-2-ylethanol

C18H14OS — CID 139625318

IUPAC2-naphtho[1,2-g][1]benzothiol-2-ylethanol
SMILESOCCc1cc2ccc3c4ccccc4ccc3c2s1
InChIInChI=1S/C18H14OS/c19-10-9-14-11-13-6-7-16-15-4-2-1-3-12(15)5-8-17(16)18(13)20-14/h1-8,11,19H,9-10H2
InChIKeyXZZXRRQBPMHTLC-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.74
Rot. Bonds2

About 2-naphtho[1,2-g][1]benzothiol-2-ylethanol

2-naphtho[1,2-g][1]benzothiol-2-ylethanol (PubChem CID 139625318) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-naphtho[1,2-g][1]benzothiol-2-ylethanol.

Molecular Properties

Compound Name2-naphtho[1,2-g][1]benzothiol-2-ylethanol
PubChem CID139625318
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name2-naphtho[1,2-g][1]benzothiol-2-ylethanol
SMILESOCCc1cc2ccc3c4ccccc4ccc3c2s1
InChIInChI=1S/C18H14OS/c19-10-9-14-11-13-6-7-16-15-4-2-1-3-12(15)5-8-17(16)18(13)20-14/h1-8,11,19H,9-10H2
InChIKeyXZZXRRQBPMHTLC-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(naphtho[1,2-g][1]benzothiol-2-ylmethylamino)propane-1,3-diol
CID 14770250
2-chrysen-2-ylethanol
CID 87369474
2-chrysen-1-ylethanol
CID 87369772
ethyl naphtho[1,2-g][1]benzothiole-2-carboxylate
CID 14770247
chrysene;iron
CID 157379031
2-chrysen-5-ylethanol
CID 87369966
7,16-bis(3,7-dimethyloctyl)-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 122606208
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol
CID 87369423
ethene;picene
CID 175286520
2-chrysen-2-yl-1-benzothiophene
CID 58362123

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-g][1]benzothiol-2-ylethanol?
The IUPAC name of 2-naphtho[1,2-g][1]benzothiol-2-ylethanol (CID 139625318) is 2-naphtho[1,2-g][1]benzothiol-2-ylethanol.
What is the SMILES notation for 2-naphtho[1,2-g][1]benzothiol-2-ylethanol?
The canonical SMILES for 2-naphtho[1,2-g][1]benzothiol-2-ylethanol is OCCc1cc2ccc3c4ccccc4ccc3c2s1.
What is the InChIKey of 2-naphtho[1,2-g][1]benzothiol-2-ylethanol?
The InChIKey is XZZXRRQBPMHTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c19-10-9-14-11-13-6-7-16-15-4-2-1-3-12(15)5-8-17(16)18(13)20-14/h1-8,11,19H,9-10H2.
What are the key properties of 2-naphtho[1,2-g][1]benzothiol-2-ylethanol?
2-naphtho[1,2-g][1]benzothiol-2-ylethanol has a molecular weight of 278.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[1,2-g][1]benzothiol-2-ylethanol is sourced from PubChem (CID 139625318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).