(3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol

C16H24OS — CID 138393597

IUPAC(3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol
SMILESCc1ccsc1C(O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChIInChI=1S/C16H24OS/c1-9-5-6-18-15(9)14(17)12-7-11-8-13(10(12)2)16(11,3)4/h5-6,10-14,17H,7-8H2,1-4H3/t10-,11+,12+,13+,14?/m0/s1
InChIKeyNXOLYUBMGAVQGJ-WDIAWBBUSA-N
MW264.43 g/mol
LogP4.41
Rot. Bonds2

About (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol

(3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol (PubChem CID 138393597) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol
PubChem CID138393597
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name(3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol
SMILESCc1ccsc1C(O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChIInChI=1S/C16H24OS/c1-9-5-6-18-15(9)14(17)12-7-11-8-13(10(12)2)16(11,3)4/h5-6,10-14,17H,7-8H2,1-4H3/t10-,11+,12+,13+,14?/m0/s1
InChIKeyNXOLYUBMGAVQGJ-WDIAWBBUSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol 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-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The IUPAC name of (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol (CID 138393597) is (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol is Cc1ccsc1C(O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C.
What is the InChIKey of (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The InChIKey is NXOLYUBMGAVQGJ-WDIAWBBUSA-N. The full InChI is InChI=1S/C16H24OS/c1-9-5-6-18-15(9)14(17)12-7-11-8-13(10(12)2)16(11,3)4/h5-6,10-14,17H,7-8H2,1-4H3/t10-,11+,12+,13+,14?/m0/s1.
What are the key properties of (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
(3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol has a molecular weight of 264.43 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol is sourced from PubChem (CID 138393597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).