1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene

C25H23ClO — CID 67232908

IUPAC1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene
SMILESC1=Cc2ccccc2C1.C=Cc1ccc(Cl)cc1.C=Cc1ccccc1O
InChIInChI=1S/C9H8.C8H7Cl.C8H8O/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-3-5-8(9)6-4-7;1-2-7-5-3-4-6-8(7)9/h1-6H,7H2;2-6H,1H2;2-6,9H,1H2
InChIKeyUQNUMXUNRHHKTN-UHFFFAOYSA-N
MW374.91 g/mol
LogP7.27
Rot. Bonds2

About 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene

1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene (PubChem CID 67232908) has the molecular formula C25H23ClO and a molecular weight of 374.91 g/mol. Its IUPAC name is 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene.

Molecular Properties

Compound Name1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene
PubChem CID67232908
Molecular FormulaC25H23ClO
Molecular Weight374.91 g/mol
Exact Mass374.14
IUPAC Name1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene
SMILESC1=Cc2ccccc2C1.C=Cc1ccc(Cl)cc1.C=Cc1ccccc1O
InChIInChI=1S/C9H8.C8H7Cl.C8H8O/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-3-5-8(9)6-4-7;1-2-7-5-3-4-6-8(7)9/h1-6H,7H2;2-6H,1H2;2-6,9H,1H2
InChIKeyUQNUMXUNRHHKTN-UHFFFAOYSA-N
XLogP7.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene?
The IUPAC name of 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene (CID 67232908) is 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene.
What is the SMILES notation for 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene?
The canonical SMILES for 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene is C1=Cc2ccccc2C1.C=Cc1ccc(Cl)cc1.C=Cc1ccccc1O.
What is the InChIKey of 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene?
The InChIKey is UQNUMXUNRHHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C8H7Cl.C8H8O/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-3-5-8(9)6-4-7;1-2-7-5-3-4-6-8(7)9/h1-6H,7H2;2-6H,1H2;2-6,9H,1H2.
What are the key properties of 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene?
1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene has a molecular weight of 374.91 g/mol, XLogP of 7.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene is sourced from PubChem (CID 67232908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).