acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene

C10H11ClO3 — CID 87951546

IUPACacetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene
SMILESCC(=O)Cl.COc1c2ccc-2c1OC
InChIInChI=1S/C8H8O2.C2H3ClO/c1-9-7-5-3-4-6(5)8(7)10-2;1-2(3)4/h3-4H,1-2H3;1H3
InChIKeyDKMWVNVTLJYAKN-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.46
Rot. Bonds2

About acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene

acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 87951546) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameacetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID87951546
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Nameacetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene
SMILESCC(=O)Cl.COc1c2ccc-2c1OC
InChIInChI=1S/C8H8O2.C2H3ClO/c1-9-7-5-3-4-6(5)8(7)10-2;1-2(3)4/h3-4H,1-2H3;1H3
InChIKeyDKMWVNVTLJYAKN-UHFFFAOYSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-one;2,3,4-trimethoxybicyclo[3.1.0]hexa-1(6),2,4-triene
CID 175025217
acetyl chloride;2,3-dimethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 87951473
2,3-dimethoxy-4-phenylbenzoyl chloride
CID 18351428
1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone
CID 61033108
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566
1-[2-(2,3,4-trimethoxyphenyl)phenyl]prop-2-en-1-one
CID 118550411
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
1-(10-methoxyanthracen-9-yl)ethanone
CID 176915779

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene (CID 87951546) is acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene is CC(=O)Cl.COc1c2ccc-2c1OC.
What is the InChIKey of acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is DKMWVNVTLJYAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C2H3ClO/c1-9-7-5-3-4-6(5)8(7)10-2;1-2(3)4/h3-4H,1-2H3;1H3.
What are the key properties of acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene?
acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 214.65 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 87951546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).