(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene

C10H11ClO — CID 7055831

IUPAC(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCOc1cc2c(cc1C)[C@H](Cl)C2
InChIInChI=1S/C10H11ClO/c1-6-3-8-7(4-9(8)11)5-10(6)12-2/h3,5,9H,4H2,1-2H3/t9-/m1/s1
InChIKeyIUMJGWDDJBYBSK-SECBINFHSA-N
MW182.65 g/mol
LogP2.84
Rot. Bonds1

About (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene

(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 7055831) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID7055831
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCOc1cc2c(cc1C)[C@H](Cl)C2
InChIInChI=1S/C10H11ClO/c1-6-3-8-7(4-9(8)11)5-10(6)12-2/h3,5,9H,4H2,1-2H3/t9-/m1/s1
InChIKeyIUMJGWDDJBYBSK-SECBINFHSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

(7S)-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 7055821
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
9-methoxy-10-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 91335996
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-(4-methoxy-2,5-dimethylphenyl)oxirane
CID 82074963
(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 42611556
(2R)-7-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130692007
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
CID 88889516

Frequently Asked Questions

What is the IUPAC name of (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene (CID 7055831) is (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene is COc1cc2c(cc1C)[C@H](Cl)C2.
What is the InChIKey of (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is IUMJGWDDJBYBSK-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClO/c1-6-3-8-7(4-9(8)11)5-10(6)12-2/h3,5,9H,4H2,1-2H3/t9-/m1/s1.
What are the key properties of (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 182.65 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 7055831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).