4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

C21H24O2 — CID 142874323

IUPAC4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESOc1ccc2c(c1-c1c(O)ccc3c1CCCC3)CCCCC2
InChIInChI=1S/C21H24O2/c22-18-12-10-14-6-2-1-3-8-16(14)20(18)21-17-9-5-4-7-15(17)11-13-19(21)23/h10-13,22-23H,1-9H2
InChIKeyIQIBQKCTZOPPEI-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.91
Rot. Bonds1

About 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (PubChem CID 142874323) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.

Molecular Properties

Compound Name4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
PubChem CID142874323
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESOc1ccc2c(c1-c1c(O)ccc3c1CCCC3)CCCCC2
InChIInChI=1S/C21H24O2/c22-18-12-10-14-6-2-1-3-8-16(14)20(18)21-17-9-5-4-7-15(17)11-13-19(21)23/h10-13,22-23H,1-9H2
InChIKeyIQIBQKCTZOPPEI-UHFFFAOYSA-N
XLogP4.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol with MolForge

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Related Compounds

1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;sulfane
CID 134611635
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
3-hydroxy-4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 89381812
5-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 136932474
4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117295070
tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol
CID 132501157
4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 140896345
[1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl] trifluoromethanesulfonate
CID 162403251
1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163521680
5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 136963383
2,3,6,7,8,9-hexahydrocyclopenta[a]naphthalen-1-one
CID 640563
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
CID 22252946

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The IUPAC name of 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (CID 142874323) is 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.
What is the SMILES notation for 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The canonical SMILES for 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is Oc1ccc2c(c1-c1c(O)ccc3c1CCCC3)CCCCC2.
What is the InChIKey of 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The InChIKey is IQIBQKCTZOPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c22-18-12-10-14-6-2-1-3-8-16(14)20(18)21-17-9-5-4-7-15(17)11-13-19(21)23/h10-13,22-23H,1-9H2.
What are the key properties of 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol has a molecular weight of 308.42 g/mol, XLogP of 4.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is sourced from PubChem (CID 142874323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).