2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene

C29H38F2O — CID 139848399

IUPAC2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCCCC1CCC(c2cc(F)c(C3CCc4cc(OCCC)ccc4C3)c(F)c2)CC1
InChIInChI=1S/C29H38F2O/c1-3-5-6-20-7-9-21(10-8-20)25-18-27(30)29(28(31)19-25)24-12-11-23-17-26(32-15-4-2)14-13-22(23)16-24/h13-14,17-21,24H,3-12,15-16H2,1-2H3
InChIKeySZVILXZGRHMPQU-UHFFFAOYSA-N
MW440.62 g/mol
LogP8.49
Rot. Bonds8

About 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene

2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848399) has the molecular formula C29H38F2O and a molecular weight of 440.62 g/mol. Its IUPAC name is 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID139848399
Molecular FormulaC29H38F2O
Molecular Weight440.62 g/mol
Exact Mass440.29
IUPAC Name2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCCCC1CCC(c2cc(F)c(C3CCc4cc(OCCC)ccc4C3)c(F)c2)CC1
InChIInChI=1S/C29H38F2O/c1-3-5-6-20-7-9-21(10-8-20)25-18-27(30)29(28(31)19-25)24-12-11-23-17-26(32-15-4-2)14-13-22(23)16-24/h13-14,17-21,24H,3-12,15-16H2,1-2H3
InChIKeySZVILXZGRHMPQU-UHFFFAOYSA-N
XLogP8.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-pentoxy-1,2,3,4-tetrahydronaphthalene
CID 139848959
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
CID 139848448
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 139847867
6-but-2-enoxy-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849866
6-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848488
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139848699
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139849248
6-butyl-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849747
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139849018
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 139848083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene (CID 139848399) is 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene is CCCCC1CCC(c2cc(F)c(C3CCc4cc(OCCC)ccc4C3)c(F)c2)CC1.
What is the InChIKey of 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SZVILXZGRHMPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F2O/c1-3-5-6-20-7-9-21(10-8-20)25-18-27(30)29(28(31)19-25)24-12-11-23-17-26(32-15-4-2)14-13-22(23)16-24/h13-14,17-21,24H,3-12,15-16H2,1-2H3.
What are the key properties of 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene?
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 440.62 g/mol, XLogP of 8.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).