(2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid

C18H15ClO2 — CID 45268505

IUPAC(2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid
SMILESO=C(O)/C=C1\c2ccccc2CC1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClO2/c19-15-7-5-12(6-8-15)9-14-10-13-3-1-2-4-16(13)17(14)11-18(20)21/h1-8,11,14H,9-10H2,(H,20,21)/b17-11-
InChIKeyUWSMWVUIAMBMPV-BOPFTXTBSA-N
MW298.77 g/mol
LogP4.22
Rot. Bonds3

About (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid

(2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid (PubChem CID 45268505) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid
PubChem CID45268505
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name(2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid
SMILESO=C(O)/C=C1\c2ccccc2CC1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClO2/c19-15-7-5-12(6-8-15)9-14-10-13-3-1-2-4-16(13)17(14)11-18(20)21/h1-8,11,14H,9-10H2,(H,20,21)/b17-11-
InChIKeyUWSMWVUIAMBMPV-BOPFTXTBSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid?
The IUPAC name of (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid (CID 45268505) is (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid.
What is the SMILES notation for (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid?
The canonical SMILES for (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid is O=C(O)/C=C1\c2ccccc2CC1Cc1ccc(Cl)cc1.
What is the InChIKey of (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid?
The InChIKey is UWSMWVUIAMBMPV-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H15ClO2/c19-15-7-5-12(6-8-15)9-14-10-13-3-1-2-4-16(13)17(14)11-18(20)21/h1-8,11,14H,9-10H2,(H,20,21)/b17-11-.
What are the key properties of (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid?
(2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid has a molecular weight of 298.77 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[(4-chlorophenyl)methyl]-2,3-dihydroinden-1-ylidene]acetic acid is sourced from PubChem (CID 45268505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).