1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene

C23H32 — CID 176687461

IUPAC1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
SMILESCCCCc1ccc([C@H](C)CC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C23H32/c1-5-7-8-21-11-15-23(16-12-21)19(4)17-18(3)22-13-9-20(6-2)10-14-22/h9-16,18-19H,5-8,17H2,1-4H3/t18?,19-/m1/s1
InChIKeyZNKRIAUKVYDRLJ-MUMRKEEXSA-N
MW308.51 g/mol
LogP6.89
Rot. Bonds8

About 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene

1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene (PubChem CID 176687461) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene.

Molecular Properties

Compound Name1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
PubChem CID176687461
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
SMILESCCCCc1ccc([C@H](C)CC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C23H32/c1-5-7-8-21-11-15-23(16-12-21)19(4)17-18(3)22-13-9-20(6-2)10-14-22/h9-16,18-19H,5-8,17H2,1-4H3/t18?,19-/m1/s1
InChIKeyZNKRIAUKVYDRLJ-MUMRKEEXSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
2-(4-butylphenyl)propane-1-sulfonyl chloride
CID 112519919
4-(4-butylphenyl)pentan-1-amine
CID 82286120
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-ethyl-4-octacosylbenzene
CID 175218304
1-butyl-4-(1-chloro-3-methylbutyl)benzene
CID 63431905
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene
CID 173386186

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene?
The IUPAC name of 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene (CID 176687461) is 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene.
What is the SMILES notation for 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene?
The canonical SMILES for 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene is CCCCc1ccc([C@H](C)CC(C)c2ccc(CC)cc2)cc1.
What is the InChIKey of 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene?
The InChIKey is ZNKRIAUKVYDRLJ-MUMRKEEXSA-N. The full InChI is InChI=1S/C23H32/c1-5-7-8-21-11-15-23(16-12-21)19(4)17-18(3)22-13-9-20(6-2)10-14-22/h9-16,18-19H,5-8,17H2,1-4H3/t18?,19-/m1/s1.
What are the key properties of 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene?
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene has a molecular weight of 308.51 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene is sourced from PubChem (CID 176687461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).