6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol

C24H29FO2 — CID 70651839

IUPAC6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol
SMILESCOc1ccc2c(c1)CCCC(c1ccc(F)cc1)=C2CCCCCCO
InChIInChI=1S/C24H29FO2/c1-27-21-14-15-23-19(17-21)7-6-9-22(18-10-12-20(25)13-11-18)24(23)8-4-2-3-5-16-26/h10-15,17,26H,2-9,16H2,1H3
InChIKeyGATHQKAOXHVQTD-UHFFFAOYSA-N
MW368.49 g/mol
LogP6.02
Rot. Bonds8

About 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol

6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol (PubChem CID 70651839) has the molecular formula C24H29FO2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol
PubChem CID70651839
Molecular FormulaC24H29FO2
Molecular Weight368.49 g/mol
Exact Mass368.22
IUPAC Name6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol
SMILESCOc1ccc2c(c1)CCCC(c1ccc(F)cc1)=C2CCCCCCO
InChIInChI=1S/C24H29FO2/c1-27-21-14-15-23-19(17-21)7-6-9-22(18-10-12-20(25)13-11-18)24(23)8-4-2-3-5-16-26/h10-15,17,26H,2-9,16H2,1H3
InChIKeyGATHQKAOXHVQTD-UHFFFAOYSA-N
XLogP6.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.49
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol?
The IUPAC name of 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol (CID 70651839) is 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol.
What is the SMILES notation for 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol?
The canonical SMILES for 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol is COc1ccc2c(c1)CCCC(c1ccc(F)cc1)=C2CCCCCCO.
What is the InChIKey of 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol?
The InChIKey is GATHQKAOXHVQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FO2/c1-27-21-14-15-23-19(17-21)7-6-9-22(18-10-12-20(25)13-11-18)24(23)8-4-2-3-5-16-26/h10-15,17,26H,2-9,16H2,1H3.
What are the key properties of 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol?
6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol has a molecular weight of 368.49 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol is sourced from PubChem (CID 70651839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).