2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol

C15H20O — CID 67901360

IUPAC2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol
SMILESOCCC1CCC2CCCc3cccc1c32
InChIInChI=1S/C15H20O/c16-10-9-11-7-8-13-4-1-3-12-5-2-6-14(11)15(12)13/h2,5-6,11,13,16H,1,3-4,7-10H2
InChIKeyBLKIONNFVMZXMQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.37
Rot. Bonds2

About 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol

2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol (PubChem CID 67901360) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol
PubChem CID67901360
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol
SMILESOCCC1CCC2CCCc3cccc1c32
InChIInChI=1S/C15H20O/c16-10-9-11-7-8-13-4-1-3-12-5-2-6-14(11)15(12)13/h2,5-6,11,13,16H,1,3-4,7-10H2
InChIKeyBLKIONNFVMZXMQ-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol
CID 19832183
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine
CID 63823189
1-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-one
CID 10849602
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
2-(1,3,4,5-tetrahydro-2-benzothiepin-1-yl)ethanol
CID 56976990
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024207
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105456735

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol?
The IUPAC name of 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol (CID 67901360) is 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol.
What is the SMILES notation for 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol?
The canonical SMILES for 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol is OCCC1CCC2CCCc3cccc1c32.
What is the InChIKey of 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol?
The InChIKey is BLKIONNFVMZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c16-10-9-11-7-8-13-4-1-3-12-5-2-6-14(11)15(12)13/h2,5-6,11,13,16H,1,3-4,7-10H2.
What are the key properties of 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol?
2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol has a molecular weight of 216.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol is sourced from PubChem (CID 67901360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).