1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene

C10H10Cl2O — CID 142086955

IUPAC1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene
SMILESC=C(C)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O/c1-7(2)13-6-8-9(11)4-3-5-10(8)12/h3-5H,1,6H2,2H3
InChIKeyBDTCBJGHZHTADR-UHFFFAOYSA-N
MW217.09 g/mol
LogP4.04
Rot. Bonds3

About 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene

1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene (PubChem CID 142086955) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene
PubChem CID142086955
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene
SMILESC=C(C)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O/c1-7(2)13-6-8-9(11)4-3-5-10(8)12/h3-5H,1,6H2,2H3
InChIKeyBDTCBJGHZHTADR-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 18398420
(2,6-dichlorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665539
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
(2,6-dichlorophenyl)methyl 3-acetamidobenzoate
CID 976117
(2,6-dichlorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91743056
(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine
CID 97057932
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
(2,6-dichlorophenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385397
(2,6-dichlorophenyl)methyl thiophene-2-carboxylate
CID 925952
(2,6-dichlorophenyl)methyl 4-iodobenzoate
CID 2409698
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
1-(2,6-dichlorophenyl)-4-methylpent-4-en-2-one
CID 79179750

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene (CID 142086955) is 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene is C=C(C)OCc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene?
The InChIKey is BDTCBJGHZHTADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-7(2)13-6-8-9(11)4-3-5-10(8)12/h3-5H,1,6H2,2H3.
What are the key properties of 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene?
1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene has a molecular weight of 217.09 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene is sourced from PubChem (CID 142086955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).