3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol

C26H26O2S — CID 67282366

IUPAC3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol
SMILESOCCCc1ccc2ccccc2c1Sc1c(CCCO)ccc2ccccc12
InChIInChI=1S/C26H26O2S/c27-17-5-9-21-15-13-19-7-1-3-11-23(19)25(21)29-26-22(10-6-18-28)16-14-20-8-2-4-12-24(20)26/h1-4,7-8,11-16,27-28H,5-6,9-10,17-18H2
InChIKeySCKIFUJJMZSVBL-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.99
Rot. Bonds8

About 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol

3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol (PubChem CID 67282366) has the molecular formula C26H26O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol
PubChem CID67282366
Molecular FormulaC26H26O2S
Molecular Weight402.56 g/mol
Exact Mass402.17
IUPAC Name3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol
SMILESOCCCc1ccc2ccccc2c1Sc1c(CCCO)ccc2ccccc12
InChIInChI=1S/C26H26O2S/c27-17-5-9-21-15-13-19-7-1-3-11-23(19)25(21)29-26-22(10-6-18-28)16-14-20-8-2-4-12-24(20)26/h1-4,7-8,11-16,27-28H,5-6,9-10,17-18H2
InChIKeySCKIFUJJMZSVBL-UHFFFAOYSA-N
XLogP5.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol (CID 67282366) is 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol is OCCCc1ccc2ccccc2c1Sc1c(CCCO)ccc2ccccc12.
What is the InChIKey of 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol?
The InChIKey is SCKIFUJJMZSVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O2S/c27-17-5-9-21-15-13-19-7-1-3-11-23(19)25(21)29-26-22(10-6-18-28)16-14-20-8-2-4-12-24(20)26/h1-4,7-8,11-16,27-28H,5-6,9-10,17-18H2.
What are the key properties of 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol?
3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol has a molecular weight of 402.56 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-hydroxypropyl)naphthalen-1-yl]sulfanylnaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 67282366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).