2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid

C18H20O3 — CID 82368596

IUPAC2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(C3CCCCC3)cc2)o1
InChIInChI=1S/C18H20O3/c19-18(20)12-16-10-11-17(21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,19,20)
InChIKeyOTJFRGKNYPCWCV-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.62
Rot. Bonds4

About 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid

2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid (PubChem CID 82368596) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid
PubChem CID82368596
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(C3CCCCC3)cc2)o1
InChIInChI=1S/C18H20O3/c19-18(20)12-16-10-11-17(21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,19,20)
InChIKeyOTJFRGKNYPCWCV-UHFFFAOYSA-N
XLogP4.62
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-cyclopenta[b]pyran-2-ylacetic acid
CID 57367990
2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid
CID 82368563
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
2-[5-(3-bromo-4-methylphenyl)furan-2-yl]acetic acid
CID 82124548
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
CID 82119352
3-(4-cyclohexylphenyl)sulfanylpropanoic acid
CID 116852839
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one
CID 16649181
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139729164
4-[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 58428392

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid (CID 82368596) is 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid is O=C(O)Cc1ccc(-c2ccc(C3CCCCC3)cc2)o1.
What is the InChIKey of 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid?
The InChIKey is OTJFRGKNYPCWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c19-18(20)12-16-10-11-17(21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,19,20).
What are the key properties of 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid?
2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid is sourced from PubChem (CID 82368596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).