6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C30H42 — CID 139849519

IUPAC6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1ccc2c(c1)CCC(c1ccc(C3CCC(CCCC)CC3)cc1)C2
InChIInChI=1S/C30H42/c1-3-5-7-23-9-12-25(13-10-23)26-15-17-27(18-16-26)29-20-19-28-21-24(8-6-4-2)11-14-30(28)22-29/h11,14-18,21,23,25,29H,3-10,12-13,19-20,22H2,1-2H3
InChIKeyQEASIDUAUBUHCG-UHFFFAOYSA-N
MW402.67 g/mol
LogP8.77
Rot. Bonds8

About 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene

6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849519) has the molecular formula C30H42 and a molecular weight of 402.67 g/mol. Its IUPAC name is 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139849519
Molecular FormulaC30H42
Molecular Weight402.67 g/mol
Exact Mass402.33
IUPAC Name6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1ccc2c(c1)CCC(c1ccc(C3CCC(CCCC)CC3)cc1)C2
InChIInChI=1S/C30H42/c1-3-5-7-23-9-12-25(13-10-23)26-15-17-27(18-16-26)29-20-19-28-21-24(8-6-4-2)11-14-30(28)22-29/h11,14-18,21,23,25,29H,3-10,12-13,19-20,22H2,1-2H3
InChIKeyQEASIDUAUBUHCG-UHFFFAOYSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849823
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
6-butyl-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849747
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139849248
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
1-butyl-4-[[4-(4-butylcyclohexyl)phenyl]sulfanylmethyl]benzene
CID 54025761
6-ethyl-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849224
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139849018

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 139849519) is 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene is CCCCc1ccc2c(c1)CCC(c1ccc(C3CCC(CCCC)CC3)cc1)C2.
What is the InChIKey of 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is QEASIDUAUBUHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42/c1-3-5-7-23-9-12-25(13-10-23)26-15-17-27(18-16-26)29-20-19-28-21-24(8-6-4-2)11-14-30(28)22-29/h11,14-18,21,23,25,29H,3-10,12-13,19-20,22H2,1-2H3.
What are the key properties of 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 402.67 g/mol, XLogP of 8.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).