4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

C13H18O2 — CID 117295070

IUPAC4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESOCCc1c(O)ccc2c1CCCCC2
InChIInChI=1S/C13H18O2/c14-9-8-12-11-5-3-1-2-4-10(11)6-7-13(12)15/h6-7,14-15H,1-5,8-9H2
InChIKeyQQJVVFLOJGNPMP-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.20
Rot. Bonds2

About 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (PubChem CID 117295070) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
PubChem CID117295070
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESOCCc1c(O)ccc2c1CCCCC2
InChIInChI=1S/C13H18O2/c14-9-8-12-11-5-3-1-2-4-10(11)6-7-13(12)15/h6-7,14-15H,1-5,8-9H2
InChIKeyQQJVVFLOJGNPMP-UHFFFAOYSA-N
XLogP2.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 142874323
2-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 142761664
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;sulfane
CID 134611635
4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 117283819
N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide
CID 111821412
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
CID 84674437
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide
CID 146083715
4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 84794766
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 117295060
1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
CID 111821409
1,1-diethyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
CID 111821415

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The IUPAC name of 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (CID 117295070) is 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.
What is the SMILES notation for 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The canonical SMILES for 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is OCCc1c(O)ccc2c1CCCCC2.
What is the InChIKey of 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The InChIKey is QQJVVFLOJGNPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-9-8-12-11-5-3-1-2-4-10(11)6-7-13(12)15/h6-7,14-15H,1-5,8-9H2.
What are the key properties of 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol has a molecular weight of 206.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is sourced from PubChem (CID 117295070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).