6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene

C30H38F2O2 — CID 59795281

IUPAC6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
SMILESCCOc1cc2c(c(F)c1F)OC(c1ccc(C3CCC(C4CCC(C)CC4)CC3)cc1)CC2
InChIInChI=1S/C30H38F2O2/c1-3-33-27-18-25-16-17-26(34-30(25)29(32)28(27)31)24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(2)5-7-20/h12-15,18-22,26H,3-11,16-17H2,1-2H3
InChIKeyOQAWCPHKCASTHE-UHFFFAOYSA-N
MW468.63 g/mol
LogP8.53
Rot. Bonds5

About 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene

6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene (PubChem CID 59795281) has the molecular formula C30H38F2O2 and a molecular weight of 468.63 g/mol. Its IUPAC name is 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
PubChem CID59795281
Molecular FormulaC30H38F2O2
Molecular Weight468.63 g/mol
Exact Mass468.28
IUPAC Name6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
SMILESCCOc1cc2c(c(F)c1F)OC(c1ccc(C3CCC(C4CCC(C)CC4)CC3)cc1)CC2
InChIInChI=1S/C30H38F2O2/c1-3-33-27-18-25-16-17-26(34-30(25)29(32)28(27)31)24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(2)5-7-20/h12-15,18-22,26H,3-11,16-17H2,1-2H3
InChIKeyOQAWCPHKCASTHE-UHFFFAOYSA-N
XLogP8.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.63
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene with MolForge

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Related Compounds

7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795492
7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
CID 90278325
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 58660707
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene
CID 143115064
(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen
CID 162132796
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
4-[4-[[7,8-difluoro-2-(methylideneamino)-3,4-dihydro-2H-chromen-6-yl]oxymethyl]cyclohexyl]cyclohexane-1-carbonitrile
CID 91575767

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene (CID 59795281) is 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene is CCOc1cc2c(c(F)c1F)OC(c1ccc(C3CCC(C4CCC(C)CC4)CC3)cc1)CC2.
What is the InChIKey of 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene?
The InChIKey is OQAWCPHKCASTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2O2/c1-3-33-27-18-25-16-17-26(34-30(25)29(32)28(27)31)24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(2)5-7-20/h12-15,18-22,26H,3-11,16-17H2,1-2H3.
What are the key properties of 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene?
6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 468.63 g/mol, XLogP of 8.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).