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

C13H18O2 — CID 79422801

IUPAC6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOCCC1CCCc2ccccc2C1O
InChIInChI=1S/C13H18O2/c14-9-8-11-6-3-5-10-4-1-2-7-12(10)13(11)15/h1-2,4,7,11,13-15H,3,5-6,8-9H2
InChIKeyRBCCDWPAFGHPIE-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.05
Rot. Bonds2

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

6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 79422801) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID79422801
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOCCC1CCCc2ccccc2C1O
InChIInChI=1S/C13H18O2/c14-9-8-11-6-3-5-10-4-1-2-7-12(10)13(11)15/h1-2,4,7,11,13-15H,3,5-6,8-9H2
InChIKeyRBCCDWPAFGHPIE-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(2-hydroxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79423614
6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 81114397
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 107900940
6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63461795
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63460880
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 79422801) is 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is OCCC1CCCc2ccccc2C1O.
What is the InChIKey of 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is RBCCDWPAFGHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-9-8-11-6-3-5-10-4-1-2-7-12(10)13(11)15/h1-2,4,7,11,13-15H,3,5-6,8-9H2.
What are the key properties of 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 206.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 79422801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).