2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

C17H20OS — CID 65146415

IUPAC2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCc1ccc(CC2(O)CCc3ccccc3C2)s1
InChIInChI=1S/C17H20OS/c1-2-15-7-8-16(19-15)12-17(18)10-9-13-5-3-4-6-14(13)11-17/h3-8,18H,2,9-12H2,1H3
InChIKeyNPEJUJGFSZZUIA-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.77
Rot. Bonds3

About 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 65146415) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID65146415
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCc1ccc(CC2(O)CCc3ccccc3C2)s1
InChIInChI=1S/C17H20OS/c1-2-15-7-8-16(19-15)12-17(18)10-9-13-5-3-4-6-14(13)11-17/h3-8,18H,2,9-12H2,1H3
InChIKeyNPEJUJGFSZZUIA-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 65146415) is 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is CCc1ccc(CC2(O)CCc3ccccc3C2)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is NPEJUJGFSZZUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-2-15-7-8-16(19-15)12-17(18)10-9-13-5-3-4-6-14(13)11-17/h3-8,18H,2,9-12H2,1H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 272.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 65146415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).