1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene

C27H42F2O2 — CID 70364300

IUPAC1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCCCCOCc1ccc(OCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C27H42F2O2/c1-3-5-17-30-19-24-15-16-25(27(29)26(24)28)31-18-21-9-13-23(14-10-21)22-11-7-20(6-4-2)8-12-22/h15-16,20-23H,3-14,17-19H2,1-2H3
InChIKeyFBIINAQMLKXGNQ-UHFFFAOYSA-N
MW436.63 g/mol
LogP8.07
Rot. Bonds11

About 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene

1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene (PubChem CID 70364300) has the molecular formula C27H42F2O2 and a molecular weight of 436.63 g/mol. Its IUPAC name is 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
PubChem CID70364300
Molecular FormulaC27H42F2O2
Molecular Weight436.63 g/mol
Exact Mass436.32
IUPAC Name1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCCCCOCc1ccc(OCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C27H42F2O2/c1-3-5-17-30-19-24-15-16-25(27(29)26(24)28)31-18-21-9-13-23(14-10-21)22-11-7-20(6-4-2)8-12-22/h15-16,20-23H,3-14,17-19H2,1-2H3
InChIKeyFBIINAQMLKXGNQ-UHFFFAOYSA-N
XLogP8.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.63
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene 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

2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 67896108
2-[(4-butoxy-2,3-difluorophenoxy)methyl]-6-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967334
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
CID 154607415
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene
CID 67896160
2-[[4-(4-butoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967561
1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
CID 158791699
1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 67895712
2,3-difluoro-1-methoxy-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 19792983
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2-[(4-ethyl-2,3-difluorophenoxy)methyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967207

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene?
The IUPAC name of 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene (CID 70364300) is 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene?
The canonical SMILES for 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene is CCCCOCc1ccc(OCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene?
The InChIKey is FBIINAQMLKXGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42F2O2/c1-3-5-17-30-19-24-15-16-25(27(29)26(24)28)31-18-21-9-13-23(14-10-21)22-11-7-20(6-4-2)8-12-22/h15-16,20-23H,3-14,17-19H2,1-2H3.
What are the key properties of 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene?
1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene has a molecular weight of 436.63 g/mol, XLogP of 8.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene is sourced from PubChem (CID 70364300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).