2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene

C26H39FO — CID 59795236

IUPAC2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene
SMILESCCCc1cc2c(cc1F)OC(C1CCC(C3CCC(CC)CC3)CC1)CC2
InChIInChI=1S/C26H39FO/c1-3-5-22-16-23-14-15-25(28-26(23)17-24(22)27)21-12-10-20(11-13-21)19-8-6-18(4-2)7-9-19/h16-21,25H,3-15H2,1-2H3
InChIKeyFCRHKIFBJRDVAM-UHFFFAOYSA-N
MW386.60 g/mol
LogP7.49
Rot. Bonds5

About 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene

2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene (PubChem CID 59795236) has the molecular formula C26H39FO and a molecular weight of 386.60 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene
PubChem CID59795236
Molecular FormulaC26H39FO
Molecular Weight386.60 g/mol
Exact Mass386.30
IUPAC Name2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene
SMILESCCCc1cc2c(cc1F)OC(C1CCC(C3CCC(CC)CC3)CC1)CC2
InChIInChI=1S/C26H39FO/c1-3-5-22-16-23-14-15-25(28-26(23)17-24(22)27)21-12-10-20(11-13-21)19-8-6-18(4-2)7-9-19/h16-21,25H,3-15H2,1-2H3
InChIKeyFCRHKIFBJRDVAM-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-ethylcyclohexyl)-7-fluoro-3,4-dihydro-2H-chromen-6-yl]butan-1-ol
CID 71065543
7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795489
7-fluoro-2-[4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxymethyl]cyclohexyl]-6-(trifluoromethoxy)-3,4-dihydro-2H-chromene
CID 59795476
6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 59795337
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
6-butyl-2-[4-(3,3-difluoropropyl)cyclohexyl]-8-fluoro-3,4-dihydro-2H-chromene
CID 58660755
4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
CID 165344858
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19988165
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene (CID 59795236) is 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene is CCCc1cc2c(cc1F)OC(C1CCC(C3CCC(CC)CC3)CC1)CC2.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene?
The InChIKey is FCRHKIFBJRDVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39FO/c1-3-5-22-16-23-14-15-25(28-26(23)17-24(22)27)21-12-10-20(11-13-21)19-8-6-18(4-2)7-9-19/h16-21,25H,3-15H2,1-2H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene?
2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene has a molecular weight of 386.60 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).