8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one

C38H55FO2 — CID 141494617

IUPAC8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one
SMILESCCCCCCCCCCC1CCC(c2ccc3c(c2)c(=O)oc2c(F)c(CCCCCCCCC)ccc23)CC1
InChIInChI=1S/C38H55FO2/c1-3-5-7-9-11-13-14-16-18-29-20-22-30(23-21-29)32-25-26-33-34-27-24-31(19-17-15-12-10-8-6-4-2)36(39)37(34)41-38(40)35(33)28-32/h24-30H,3-23H2,1-2H3
InChIKeyCECGBGUIRDQKFD-UHFFFAOYSA-N
MW562.85 g/mol
LogP12.18
Rot. Bonds18

About 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one

8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one (PubChem CID 141494617) has the molecular formula C38H55FO2 and a molecular weight of 562.85 g/mol. Its IUPAC name is 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one
PubChem CID141494617
Molecular FormulaC38H55FO2
Molecular Weight562.85 g/mol
Exact Mass562.42
IUPAC Name8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one
SMILESCCCCCCCCCCC1CCC(c2ccc3c(c2)c(=O)oc2c(F)c(CCCCCCCCC)ccc23)CC1
InChIInChI=1S/C38H55FO2/c1-3-5-7-9-11-13-14-16-18-29-20-22-30(23-21-29)32-25-26-33-34-27-24-31(19-17-15-12-10-8-6-4-2)36(39)37(34)41-38(40)35(33)28-32/h24-30H,3-23H2,1-2H3
InChIKeyCECGBGUIRDQKFD-UHFFFAOYSA-N
XLogP12.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.85
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-8-(4-hexylcyclohexyl)-3-octylbenzo[c]chromen-6-one
CID 141494453
8-(4-butylcyclohexyl)-3-decyl-4-fluorobenzo[c]chromen-6-one
CID 141494219
3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromen-6-one
CID 141494490
4-fluoro-8-(4-hexylcyclohexyl)-3-methylbenzo[c]chromen-6-one
CID 141494515
8-(4-decylcyclohexyl)-4-fluoro-3-hexylbenzo[c]chromene-6-thione
CID 141494410
4-fluoro-8-(4-heptylcyclohexyl)-3-nonylbenzo[c]chromene-6-thione
CID 141494300
4-fluoro-3-heptyl-8-(4-propylcyclohexyl)benzo[c]chromene-6-thione
CID 141494465
3-ethyl-4-fluoro-8-(4-octylcyclohexyl)benzo[c]chromene-6-thione
CID 141494386
3-butyl-4-fluoro-8-(4-propylcyclohexyl)benzo[c]chromene-6-thione
CID 141494237
3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione
CID 141494284
4-fluoro-8-(4-hexylphenyl)-3-nonylbenzo[c]chromen-6-one
CID 141229950
4-fluoro-3-heptyl-8-(4-hexylphenyl)benzo[c]chromen-6-one
CID 141230138

Frequently Asked Questions

What is the IUPAC name of 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one?
The IUPAC name of 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one (CID 141494617) is 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one?
The canonical SMILES for 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one is CCCCCCCCCCC1CCC(c2ccc3c(c2)c(=O)oc2c(F)c(CCCCCCCCC)ccc23)CC1.
What is the InChIKey of 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one?
The InChIKey is CECGBGUIRDQKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55FO2/c1-3-5-7-9-11-13-14-16-18-29-20-22-30(23-21-29)32-25-26-33-34-27-24-31(19-17-15-12-10-8-6-4-2)36(39)37(34)41-38(40)35(33)28-32/h24-30H,3-23H2,1-2H3.
What are the key properties of 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one?
8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one has a molecular weight of 562.85 g/mol, XLogP of 12.18, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one is sourced from PubChem (CID 141494617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).