1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane

C18H21ClO — CID 144971692

IUPAC1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane
SMILESC=C1CC1.CO.Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11Cl.C4H6.CH4O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-4-2-3-4;1-2/h2-9H,1H3;1-3H2;2H,1H3
InChIKeyBYVQHTADZXESBM-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.26
Rot. Bonds1

About 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane

1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane (PubChem CID 144971692) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane.

Molecular Properties

Compound Name1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane
PubChem CID144971692
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane
SMILESC=C1CC1.CO.Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11Cl.C4H6.CH4O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-4-2-3-4;1-2/h2-9H,1H3;1-3H2;2H,1H3
InChIKeyBYVQHTADZXESBM-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane?
The IUPAC name of 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane (CID 144971692) is 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane.
What is the SMILES notation for 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane?
The canonical SMILES for 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane is C=C1CC1.CO.Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane?
The InChIKey is BYVQHTADZXESBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl.C4H6.CH4O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-4-2-3-4;1-2/h2-9H,1H3;1-3H2;2H,1H3.
What are the key properties of 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane?
1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane has a molecular weight of 288.82 g/mol, XLogP of 5.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane is sourced from PubChem (CID 144971692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).