ethane;4-phenylbenzoic acid;propane

C20H30O2 — CID 156791718

IUPACethane;4-phenylbenzoic acid;propane
SMILESCC.CC.CCC.O=C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O2.C3H8.2C2H6/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-3-2;2*1-2/h1-9H,(H,14,15);3H2,1-2H3;2*1-2H3
InChIKeyLMYCCUUWSBXFAX-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.52
Rot. Bonds2

About ethane;4-phenylbenzoic acid;propane

ethane;4-phenylbenzoic acid;propane (PubChem CID 156791718) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is ethane;4-phenylbenzoic acid;propane.

Molecular Properties

Compound Nameethane;4-phenylbenzoic acid;propane
PubChem CID156791718
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Nameethane;4-phenylbenzoic acid;propane
SMILESCC.CC.CCC.O=C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O2.C3H8.2C2H6/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-3-2;2*1-2/h1-9H,(H,14,15);3H2,1-2H3;2*1-2H3
InChIKeyLMYCCUUWSBXFAX-UHFFFAOYSA-N
XLogP6.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium;hydride;4-phenylbenzoic acid
CID 173392993
potassium;hydride;4-phenylbenzoic acid
CID 173045180
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
1,1'-biphenyl;methanol;propane
CID 91033003
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
benzoic acid;4-methylbenzoic acid
CID 71272637
3-(4-carboxyphenyl)benzoic acid
CID 11550488
propanoic acid;terephthalic acid
CID 158352815
benzoic acid;ethane;ethene
CID 143334069

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenylbenzoic acid;propane?
The IUPAC name of ethane;4-phenylbenzoic acid;propane (CID 156791718) is ethane;4-phenylbenzoic acid;propane.
What is the SMILES notation for ethane;4-phenylbenzoic acid;propane?
The canonical SMILES for ethane;4-phenylbenzoic acid;propane is CC.CC.CCC.O=C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;4-phenylbenzoic acid;propane?
The InChIKey is LMYCCUUWSBXFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.C3H8.2C2H6/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-3-2;2*1-2/h1-9H,(H,14,15);3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-phenylbenzoic acid;propane?
ethane;4-phenylbenzoic acid;propane has a molecular weight of 302.46 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenylbenzoic acid;propane is sourced from PubChem (CID 156791718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).