(2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid

C20H28O2 — CID 129196589

IUPAC(2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid
SMILESCC/C(=C/C1CCC(c2ccc(C(C)C)cc2)CC1)C(=O)O
InChIInChI=1S/C20H28O2/c1-4-16(20(21)22)13-15-5-7-18(8-6-15)19-11-9-17(10-12-19)14(2)3/h9-15,18H,4-8H2,1-3H3,(H,21,22)/b16-13-
InChIKeyIYZACFHIZXQRNJ-SSZFMOIBSA-N
MW300.44 g/mol
LogP5.50
Rot. Bonds5

About (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid

(2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid (PubChem CID 129196589) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid.

Molecular Properties

Compound Name(2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid
PubChem CID129196589
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid
SMILESCC/C(=C/C1CCC(c2ccc(C(C)C)cc2)CC1)C(=O)O
InChIInChI=1S/C20H28O2/c1-4-16(20(21)22)13-15-5-7-18(8-6-15)19-11-9-17(10-12-19)14(2)3/h9-15,18H,4-8H2,1-3H3,(H,21,22)/b16-13-
InChIKeyIYZACFHIZXQRNJ-SSZFMOIBSA-N
XLogP5.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.50
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

2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
2-ethyl-4-(4-propan-2-ylphenoxy)but-2-enoic acid
CID 77100385
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
CID 159561903
4-amino-3-(4-cyclopropylphenyl)pentanoic acid
CID 79978502
N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one
CID 160992069
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
3-(4-butan-2-ylphenyl)cyclopentane-1-carbaldehyde
CID 173403845
4-(4-pent-1-enylcyclohexyl)benzoic acid
CID 54142034
1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
CID 101058020
(2S)-2-(4-cyclopropylphenyl)butanedioic acid
CID 799527
1-(4-cyclopropylphenyl)-3-methylhexan-1-ol
CID 79980578

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid?
The IUPAC name of (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid (CID 129196589) is (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid.
What is the SMILES notation for (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid?
The canonical SMILES for (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid is CC/C(=C/C1CCC(c2ccc(C(C)C)cc2)CC1)C(=O)O.
What is the InChIKey of (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid?
The InChIKey is IYZACFHIZXQRNJ-SSZFMOIBSA-N. The full InChI is InChI=1S/C20H28O2/c1-4-16(20(21)22)13-15-5-7-18(8-6-15)19-11-9-17(10-12-19)14(2)3/h9-15,18H,4-8H2,1-3H3,(H,21,22)/b16-13-.
What are the key properties of (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid?
(2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid has a molecular weight of 300.44 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(4-propan-2-ylphenyl)cyclohexyl]methylidene]butanoic acid is sourced from PubChem (CID 129196589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).