(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol

C18H18OS — CID 81432036

IUPAC(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol
SMILESCCc1ccc(C(O)c2c(C)ccc3ccccc23)s1
InChIInChI=1S/C18H18OS/c1-3-14-10-11-16(20-14)18(19)17-12(2)8-9-13-6-4-5-7-15(13)17/h4-11,18-19H,3H2,1-2H3
InChIKeyYHPSCTIKNJBLOR-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.85
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol

(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol (PubChem CID 81432036) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol
PubChem CID81432036
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol
SMILESCCc1ccc(C(O)c2c(C)ccc3ccccc23)s1
InChIInChI=1S/C18H18OS/c1-3-14-10-11-16(20-14)18(19)17-12(2)8-9-13-6-4-5-7-15(13)17/h4-11,18-19H,3H2,1-2H3
InChIKeyYHPSCTIKNJBLOR-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
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CID 97056042
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol
CID 91655781
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516
(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
CID 14810052
(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
CID 61099322
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
(R)-(4-amino-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanol
CID 100804222
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol?
The IUPAC name of (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol (CID 81432036) is (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol?
The canonical SMILES for (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol is CCc1ccc(C(O)c2c(C)ccc3ccccc23)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol?
The InChIKey is YHPSCTIKNJBLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-3-14-10-11-16(20-14)18(19)17-12(2)8-9-13-6-4-5-7-15(13)17/h4-11,18-19H,3H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol?
(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol has a molecular weight of 282.41 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol is sourced from PubChem (CID 81432036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).