8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene

C33H43FO — CID 59795137

IUPAC8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
SMILESCCCc1ccc(C2CCC(/C=C/c3cc(F)c4c(c3)CCC(C3CCC(C)CC3)O4)CC2)cc1
InChIInChI=1S/C33H43FO/c1-3-4-24-9-15-27(16-10-24)28-17-11-25(12-18-28)7-8-26-21-30-19-20-32(35-33(30)31(34)22-26)29-13-5-23(2)6-14-29/h7-10,15-16,21-23,25,28-29,32H,3-6,11-14,17-20H2,1-2H3/b8-7+
InChIKeyBNVZINJLOIPKMD-BQYQJAHWSA-N
MW474.70 g/mol
LogP9.29
Rot. Bonds6

About 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene

8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene (PubChem CID 59795137) has the molecular formula C33H43FO and a molecular weight of 474.70 g/mol. Its IUPAC name is 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
PubChem CID59795137
Molecular FormulaC33H43FO
Molecular Weight474.70 g/mol
Exact Mass474.33
IUPAC Name8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
SMILESCCCc1ccc(C2CCC(/C=C/c3cc(F)c4c(c3)CCC(C3CCC(C)CC3)O4)CC2)cc1
InChIInChI=1S/C33H43FO/c1-3-4-24-9-15-27(16-10-24)28-17-11-25(12-18-28)7-8-26-21-30-19-20-32(35-33(30)31(34)22-26)29-13-5-23(2)6-14-29/h7-10,15-16,21-23,25,28-29,32H,3-6,11-14,17-20H2,1-2H3/b8-7+
InChIKeyBNVZINJLOIPKMD-BQYQJAHWSA-N
XLogP9.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.70
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene with MolForge

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Related Compounds

1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19612816
6-butyl-2-[4-(3,3-difluoropropyl)cyclohexyl]-8-fluoro-3,4-dihydro-2H-chromene
CID 58660755
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 59795300
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane
CID 154524141

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene (CID 59795137) is 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene is CCCc1ccc(C2CCC(/C=C/c3cc(F)c4c(c3)CCC(C3CCC(C)CC3)O4)CC2)cc1.
What is the InChIKey of 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene?
The InChIKey is BNVZINJLOIPKMD-BQYQJAHWSA-N. The full InChI is InChI=1S/C33H43FO/c1-3-4-24-9-15-27(16-10-24)28-17-11-25(12-18-28)7-8-26-21-30-19-20-32(35-33(30)31(34)22-26)29-13-5-23(2)6-14-29/h7-10,15-16,21-23,25,28-29,32H,3-6,11-14,17-20H2,1-2H3/b8-7+.
What are the key properties of 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene?
8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene has a molecular weight of 474.70 g/mol, XLogP of 9.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).