(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol

C19H24OS — CID 116525903

IUPAC(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol
SMILESCC1(C)CCC(C)(C)c2cc(C(O)c3cccs3)ccc21
InChIInChI=1S/C19H24OS/c1-18(2)9-10-19(3,4)15-12-13(7-8-14(15)18)17(20)16-6-5-11-21-16/h5-8,11-12,17,20H,9-10H2,1-4H3
InChIKeyIYQHBJUIBMBWDT-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.18
Rot. Bonds2

About (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol

(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol (PubChem CID 116525903) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol
PubChem CID116525903
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol
SMILESCC1(C)CCC(C)(C)c2cc(C(O)c3cccs3)ccc21
InChIInChI=1S/C19H24OS/c1-18(2)9-10-19(3,4)15-12-13(7-8-14(15)18)17(20)16-6-5-11-21-16/h5-8,11-12,17,20H,9-10H2,1-4H3
InChIKeyIYQHBJUIBMBWDT-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-ol
CID 116525912
(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid
CID 11184593
(3,4-diethylphenyl)-thiophen-2-ylmethanol
CID 115482624
6-(1-chloroethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 71633194
6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 97175249
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
CID 115527711
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
CID 95011849
1-[5-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one
CID 82175323
(2-methylquinolin-6-yl)-thiophen-2-ylmethanol
CID 81215895
5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82172104

Frequently Asked Questions

What is the IUPAC name of (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol?
The IUPAC name of (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol (CID 116525903) is (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol is CC1(C)CCC(C)(C)c2cc(C(O)c3cccs3)ccc21.
What is the InChIKey of (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol?
The InChIKey is IYQHBJUIBMBWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OS/c1-18(2)9-10-19(3,4)15-12-13(7-8-14(15)18)17(20)16-6-5-11-21-16/h5-8,11-12,17,20H,9-10H2,1-4H3.
What are the key properties of (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol?
(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol has a molecular weight of 300.47 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 116525903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).