1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene

C10H11ClO — CID 14044887

IUPAC1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
SMILESCOC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO/c1-12-8-2-3-9-4-6-10(11)7-5-9/h2-7H,8H2,1H3/b3-2+
InChIKeyKSDSQOLSXNFQSC-NSCUHMNNSA-N
MW182.65 g/mol
LogP3.00
Rot. Bonds3

About 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene

1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene (PubChem CID 14044887) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
PubChem CID14044887
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
SMILESCOC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO/c1-12-8-2-3-9-4-6-10(11)7-5-9/h2-7H,8H2,1H3/b3-2+
InChIKeyKSDSQOLSXNFQSC-NSCUHMNNSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-chlorophenyl)prop-2-enyl diethyl phosphate
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methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
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4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
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2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoxy]-3-methoxyphenyl]ethanamine
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1-chloro-4-[(E)-3-(4-methylphenyl)prop-1-enyl]benzene
CID 25149973

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene (CID 14044887) is 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene is COC/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene?
The InChIKey is KSDSQOLSXNFQSC-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11ClO/c1-12-8-2-3-9-4-6-10(11)7-5-9/h2-7H,8H2,1H3/b3-2+.
What are the key properties of 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene?
1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene has a molecular weight of 182.65 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene is sourced from PubChem (CID 14044887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).