1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

C19H20O2 — CID 117450257

IUPAC1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(C2(C(=O)O)CC2)cc1-c1ccccc1
InChIInChI=1S/C19H20O2/c1-13(2)16-9-8-15(19(10-11-19)18(20)21)12-17(16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyDEDGUQBUULXBBJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.59
Rot. Bonds4

About 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117450257) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117450257
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(C2(C(=O)O)CC2)cc1-c1ccccc1
InChIInChI=1S/C19H20O2/c1-13(2)16-9-8-15(19(10-11-19)18(20)21)12-17(16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyDEDGUQBUULXBBJ-UHFFFAOYSA-N
XLogP4.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-isocyanatocyclopentyl)-2-phenyl-1-propan-2-ylbenzene
CID 117490845
1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
CID 117457844
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117418146
1-[3-bromo-4-(difluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117469960
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(2-propan-2-ylphenyl)phenyl]ethanone
CID 123427327
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
1-[3-[2-(hydroxymethyl)-3-methylphenyl]phenyl]cyclopropane-1-carboxylic acid
CID 167841233
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
1-[3-(2-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549721

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (CID 117450257) is 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is CC(C)c1ccc(C2(C(=O)O)CC2)cc1-c1ccccc1.
What is the InChIKey of 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is DEDGUQBUULXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13(2)16-9-8-15(19(10-11-19)18(20)21)12-17(16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117450257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).