(1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid

C20H20O2 — CID 102213785

IUPAC(1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid
SMILESCCCCc1ccc(C2=C[C@@]2(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H20O2/c1-2-3-7-15-10-12-16(13-11-15)18-14-20(18,19(21)22)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3,(H,21,22)/t20-/m1/s1
InChIKeyMYAMOQFVONZPTM-HXUWFJFHSA-N
MW292.38 g/mol
LogP4.45
Rot. Bonds6

About (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid

(1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid (PubChem CID 102213785) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid
PubChem CID102213785
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid
SMILESCCCCc1ccc(C2=C[C@@]2(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H20O2/c1-2-3-7-15-10-12-16(13-11-15)18-14-20(18,19(21)22)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3,(H,21,22)/t20-/m1/s1
InChIKeyMYAMOQFVONZPTM-HXUWFJFHSA-N
XLogP4.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

butylbenzene;carbonic acid
CID 158278492
1-butyl-4-phenylbenzene;ethane
CID 143743409
butylbenzene;hydroxylamine
CID 175142403
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
carbonic acid;pentylbenzene
CID 157127683
1-pentadecyl-4-phenylbenzene
CID 57166115
1-butyl-4-methylbenzene;phenol
CID 174834955
1-[3-(4-butylphenyl)phenyl]ethanone
CID 11334246
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
3-(4-butylphenyl)benzoic acid
CID 2757303

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid?
The IUPAC name of (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid (CID 102213785) is (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid?
The canonical SMILES for (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid is CCCCc1ccc(C2=C[C@@]2(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid?
The InChIKey is MYAMOQFVONZPTM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-3-7-15-10-12-16(13-11-15)18-14-20(18,19(21)22)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3,(H,21,22)/t20-/m1/s1.
What are the key properties of (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid?
(1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid is sourced from PubChem (CID 102213785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).