4-(4-butylphenyl)benzoic acid;ethane

C19H24O2 — CID 144633228

IUPAC4-(4-butylphenyl)benzoic acid;ethane
SMILESCC.CCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18O2.C2H6/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19;1-2/h5-12H,2-4H2,1H3,(H,18,19);1-2H3
InChIKeyKGUAXBANAISWNV-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.42
Rot. Bonds5

About 4-(4-butylphenyl)benzoic acid;ethane

4-(4-butylphenyl)benzoic acid;ethane (PubChem CID 144633228) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(4-butylphenyl)benzoic acid;ethane.

Molecular Properties

Compound Name4-(4-butylphenyl)benzoic acid;ethane
PubChem CID144633228
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name4-(4-butylphenyl)benzoic acid;ethane
SMILESCC.CCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18O2.C2H6/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19;1-2/h5-12H,2-4H2,1H3,(H,18,19);1-2H3
InChIKeyKGUAXBANAISWNV-UHFFFAOYSA-N
XLogP5.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-dodecylphenyl)benzoic acid
CID 3092136
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
4-[4-[4-(4-methylphenyl)butyl]phenyl]benzoic acid
CID 67375612
ethane;4-propylbenzoic acid
CID 91047964
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
3-(4-butylphenyl)benzoic acid
CID 2757303
4-[4-(4-methylhexyl)phenyl]benzoic acid
CID 19028475
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
bis(4-butylbenzoic acid);2,6-dimethylheptane-3,5-diol
CID 66900175
1-butyl-4-phenylbenzene;ethane
CID 143743409
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)benzoic acid;ethane?
The IUPAC name of 4-(4-butylphenyl)benzoic acid;ethane (CID 144633228) is 4-(4-butylphenyl)benzoic acid;ethane.
What is the SMILES notation for 4-(4-butylphenyl)benzoic acid;ethane?
The canonical SMILES for 4-(4-butylphenyl)benzoic acid;ethane is CC.CCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-butylphenyl)benzoic acid;ethane?
The InChIKey is KGUAXBANAISWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.C2H6/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19;1-2/h5-12H,2-4H2,1H3,(H,18,19);1-2H3.
What are the key properties of 4-(4-butylphenyl)benzoic acid;ethane?
4-(4-butylphenyl)benzoic acid;ethane has a molecular weight of 284.40 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)benzoic acid;ethane is sourced from PubChem (CID 144633228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).