2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid

C15H17ClO3 — CID 87555105

IUPAC2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(C(=O)Cl)cc2)CC1
InChIInChI=1S/C15H17ClO3/c16-15(19)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)18/h5-8,10-11H,1-4,9H2,(H,17,18)
InChIKeyYLJXMJCAIBNAIE-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.81
Rot. Bonds4

About 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid

2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid (PubChem CID 87555105) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
PubChem CID87555105
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Name2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(C(=O)Cl)cc2)CC1
InChIInChI=1S/C15H17ClO3/c16-15(19)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)18/h5-8,10-11H,1-4,9H2,(H,17,18)
InChIKeyYLJXMJCAIBNAIE-UHFFFAOYSA-N
XLogP3.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
CID 174637513
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361
2-[4-[4-[3-(dimethylamino)prop-2-enoyl]phenyl]cyclohexyl]acetic acid
CID 69004624
2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
CID 82295855
4-[4-(4-pentylphenyl)cyclohexyl]benzoyl chloride
CID 21318438
2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid
CID 69054880
2-[4-[4-[bromo(1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclohexyl]acetic acid
CID 123519025
2-(4-cyclopropylphenyl)-2-oxoacetic acid
CID 117281739
2-[4-[4-[(6-benzylpyridazin-3-yl)carbamoyl]phenyl]cyclohexyl]acetic acid
CID 56645799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid (CID 87555105) is 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(C(=O)Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid?
The InChIKey is YLJXMJCAIBNAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c16-15(19)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)18/h5-8,10-11H,1-4,9H2,(H,17,18).
What are the key properties of 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid?
2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid has a molecular weight of 280.75 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 87555105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).