2-cyclohexylidene-2-(4-methylphenyl)acetic acid

C15H18O2 — CID 122373960

IUPAC2-cyclohexylidene-2-(4-methylphenyl)acetic acid
SMILESCc1ccc(C(C(=O)O)=C2CCCCC2)cc1
InChIInChI=1S/C15H18O2/c1-11-7-9-13(10-8-11)14(15(16)17)12-5-3-2-4-6-12/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyFGHREVRTJUHLQW-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.80
Rot. Bonds2

About 2-cyclohexylidene-2-(4-methylphenyl)acetic acid

2-cyclohexylidene-2-(4-methylphenyl)acetic acid (PubChem CID 122373960) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyclohexylidene-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclohexylidene-2-(4-methylphenyl)acetic acid
PubChem CID122373960
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-cyclohexylidene-2-(4-methylphenyl)acetic acid
SMILESCc1ccc(C(C(=O)O)=C2CCCCC2)cc1
InChIInChI=1S/C15H18O2/c1-11-7-9-13(10-8-11)14(15(16)17)12-5-3-2-4-6-12/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyFGHREVRTJUHLQW-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
sodium 4-methylbenzoic acid
CID 164511663
2-cyclopentylidene-2-thiophen-3-ylacetic acid
CID 122373959
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119
acetic acid;4-methylbenzoic acid
CID 68925030
benzoic acid;4-methylbenzoic acid
CID 71272637
4-methylbenzoic acid;molecular nitrogen;hydrochloride
CID 174650579
carbonic acid;1,4-xylene
CID 89415214
acetaldehyde;4-methylbenzoic acid
CID 88694515
acetonitrile;4-methylbenzoic acid
CID 174694292

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-2-(4-methylphenyl)acetic acid?
The IUPAC name of 2-cyclohexylidene-2-(4-methylphenyl)acetic acid (CID 122373960) is 2-cyclohexylidene-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for 2-cyclohexylidene-2-(4-methylphenyl)acetic acid?
The canonical SMILES for 2-cyclohexylidene-2-(4-methylphenyl)acetic acid is Cc1ccc(C(C(=O)O)=C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylidene-2-(4-methylphenyl)acetic acid?
The InChIKey is FGHREVRTJUHLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11-7-9-13(10-8-11)14(15(16)17)12-5-3-2-4-6-12/h7-10H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexylidene-2-(4-methylphenyl)acetic acid?
2-cyclohexylidene-2-(4-methylphenyl)acetic acid has a molecular weight of 230.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 122373960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).