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

C15H20O — CID 19832183

IUPAC2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol
SMILESOCCC1Cc2cccc3c2C(CCC3)C1
InChIInChI=1S/C15H20O/c16-8-7-11-9-13-5-1-3-12-4-2-6-14(10-11)15(12)13/h1,3,5,11,14,16H,2,4,6-10H2
InChIKeyRFHDXJFLUDZCTA-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.05
Rot. Bonds2

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

2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol (PubChem CID 19832183) 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-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol
PubChem CID19832183
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol
SMILESOCCC1Cc2cccc3c2C(CCC3)C1
InChIInChI=1S/C15H20O/c16-8-7-11-9-13-5-1-3-12-4-2-6-14(10-11)15(12)13/h1,3,5,11,14,16H,2,4,6-10H2
InChIKeyRFHDXJFLUDZCTA-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol
CID 67901360
2-(5-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 112546953
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 112546969
(3aS,4R)-N-(cyclopropylmethyl)-1,2,3,3a,4,5-hexahydroacenaphthylen-4-amine
CID 97356467
2-(3-phenylcyclobutyl)ethanol
CID 132580222
tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine
CID 63823189
1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine
CID 10374901
(3S,5R)-3-ethoxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene
CID 45094518
(3R,5S)-3-ethoxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene
CID 131849067
1-[1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethyl]-1,2,4-triazole;hydrochloride
CID 67901256
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
1,2,2a,3,4,5-hexahydrobenzo[cd]indole
CID 21476735

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol?
The IUPAC name of 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol (CID 19832183) is 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol.
What is the SMILES notation for 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol?
The canonical SMILES for 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol is OCCC1Cc2cccc3c2C(CCC3)C1.
What is the InChIKey of 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol?
The InChIKey is RFHDXJFLUDZCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c16-8-7-11-9-13-5-1-3-12-4-2-6-14(10-11)15(12)13/h1,3,5,11,14,16H,2,4,6-10H2.
What are the key properties of 2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol?
2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol has a molecular weight of 216.32 g/mol, XLogP of 3.05, 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-2-yl)ethanol is sourced from PubChem (CID 19832183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).