2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol

C20H20O2S — CID 127049606

IUPAC2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol
SMILESOc1c(C(c2cccs2)C2CCOCC2)ccc2ccccc12
InChIInChI=1S/C20H20O2S/c21-20-16-5-2-1-4-14(16)7-8-17(20)19(18-6-3-13-23-18)15-9-11-22-12-10-15/h1-8,13,15,19,21H,9-12H2
InChIKeyNPIFBCXVQDKSBJ-UHFFFAOYSA-N
MW324.44 g/mol
LogP5.17
Rot. Bonds3

About 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol

2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol (PubChem CID 127049606) has the molecular formula C20H20O2S and a molecular weight of 324.44 g/mol. Its IUPAC name is 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol
PubChem CID127049606
Molecular FormulaC20H20O2S
Molecular Weight324.44 g/mol
Exact Mass324.12
IUPAC Name2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol
SMILESOc1c(C(c2cccs2)C2CCOCC2)ccc2ccccc12
InChIInChI=1S/C20H20O2S/c21-20-16-5-2-1-4-14(16)7-8-17(20)19(18-6-3-13-23-18)15-9-11-22-12-10-15/h1-8,13,15,19,21H,9-12H2
InChIKeyNPIFBCXVQDKSBJ-UHFFFAOYSA-N
XLogP5.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiophen-2-ylmethyl-naphthalen-1-ol
CID 15617855
2-[Oxan-4-ylidene(thiophen-2-yl)methyl]naphthalen-1-ol
CID 127049607
Naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol
CID 127049608
6-(Thiophen-2-yl)naphthalen-2-ol
CID 10878866
6-Thiophen-3-ylnaphthalen-2-ol
CID 24827304
Zqsolxqzozonex-uhfffaoysa-
CID 1077196
5-[5-(3-Hydroxyphenyl)-2-thienyl]biphenyl-2-ol
CID 44542652
4-Thiophen-2-ylnaphthalen-2-ol
CID 11107053
1-(Thiophen-3-yl)naphthalen-2-ol
CID 91191588
18-(Trifluoromethyl)-3-thiapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(21),2(6),4,13,15,17,19-heptaen-15-ol
CID 23573935
2-[4-(4-Fluorothiophen-2-yl)naphthalen-1-yl]phenol
CID 174538401
Naphtho[1,2-b][1]benzothiol-1-ol
CID 14709450

Frequently Asked Questions

What is the IUPAC name of 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol (CID 127049606) is 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol is Oc1c(C(c2cccs2)C2CCOCC2)ccc2ccccc12.
What is the InChIKey of 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol?
The InChIKey is NPIFBCXVQDKSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c21-20-16-5-2-1-4-14(16)7-8-17(20)19(18-6-3-13-23-18)15-9-11-22-12-10-15/h1-8,13,15,19,21H,9-12H2.
What are the key properties of 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol?
2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol has a molecular weight of 324.44 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol is sourced from PubChem (CID 127049606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).