(2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid

C14H15ClO2 — CID 82244917

IUPAC(2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid
SMILESO=C(O)/C=C1\CCCCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-9,13H,1-4H2,(H,16,17)/b11-9+
InChIKeyYJIGWRQVDGQZPC-PKNBQFBNSA-N
MW250.72 g/mol
LogP4.01
Rot. Bonds2

About (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid

(2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid (PubChem CID 82244917) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid.

Molecular Properties

Compound Name(2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid
PubChem CID82244917
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name(2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid
SMILESO=C(O)/C=C1\CCCCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-9,13H,1-4H2,(H,16,17)/b11-9+
InChIKeyYJIGWRQVDGQZPC-PKNBQFBNSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 54.01
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

(2E)-2-[2-(3,5-dimethoxyphenyl)cyclohexylidene]acetic acid
CID 13366674
N-[2-(4-chlorophenyl)cyclohexylidene]hydroxylamine
CID 173461137
(2E)-2-[3-(4-chlorophenyl)cyclopentylidene]acetic acid
CID 82291768
ethyl (2E)-2-[2-(4-methoxyphenyl)cyclohexylidene]acetate
CID 66651995
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
(2E)-2-[2-[(4-methylphenyl)methyl]cyclohexylidene]acetic acid
CID 67928894
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
1-ethylidene-2-(4-fluorophenyl)cycloheptane
CID 167278345
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
4-[[2-(4-bromophenyl)cycloheptylidene]methyl]-2-chlorophenol
CID 68654616
(3R)-N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)azepane-1-carboxamide
CID 99979735
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid?
The IUPAC name of (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid (CID 82244917) is (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid.
What is the SMILES notation for (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid?
The canonical SMILES for (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid is O=C(O)/C=C1\CCCCC1c1ccc(Cl)cc1.
What is the InChIKey of (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid?
The InChIKey is YJIGWRQVDGQZPC-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H15ClO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-9,13H,1-4H2,(H,16,17)/b11-9+.
What are the key properties of (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid?
(2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid has a molecular weight of 250.72 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(4-chlorophenyl)cyclohexylidene]acetic acid is sourced from PubChem (CID 82244917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).