(6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene

C14H16Cl2O2 — CID 90975876

IUPAC(6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene
SMILESCOC1C(Cl)=CC=CC1C1C=CC=C(Cl)[C@@H]1OC
InChIInChI=1S/C14H16Cl2O2/c1-17-13-9(5-3-7-11(13)15)10-6-4-8-12(16)14(10)18-2/h3-10,13-14H,1-2H3/t9?,10?,13-,14?/m1/s1
InChIKeyUQUURSHZSJBTIE-BSJFJQEASA-N
MW287.19 g/mol
LogP3.63
Rot. Bonds3

About (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene

(6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene (PubChem CID 90975876) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene
PubChem CID90975876
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name(6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene
SMILESCOC1C(Cl)=CC=CC1C1C=CC=C(Cl)[C@@H]1OC
InChIInChI=1S/C14H16Cl2O2/c1-17-13-9(5-3-7-11(13)15)10-6-4-8-12(16)14(10)18-2/h3-10,13-14H,1-2H3/t9?,10?,13-,14?/m1/s1
InChIKeyUQUURSHZSJBTIE-BSJFJQEASA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene with MolForge

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Related Compounds

5-chloro-1-methoxycyclohexa-1,3-diene
CID 22747502
1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene
CID 175915204
(1S)-2-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 67478277
1-chloro-3,7-dimethylcyclohepta-1,3,5-triene
CID 143627296
5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene
CID 68659201
7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-3-carbaldehyde
CID 173184299
3,4-dimethoxycyclobutane-1,2-dione
CID 52953770
ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane
CID 174784035
1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 89099264
2,6-diamino-4-(5,6-dimethoxycyclohexa-1,3-dien-1-yl)-4H-thiopyran-3,5-dicarbonitrile
CID 171985493
2,6-dichloro-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 67807692
1-chloro-7-ethylcyclohepta-1,3,5-triene
CID 71395695

Frequently Asked Questions

What is the IUPAC name of (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene?
The IUPAC name of (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene (CID 90975876) is (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene.
What is the SMILES notation for (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene?
The canonical SMILES for (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene is COC1C(Cl)=CC=CC1C1C=CC=C(Cl)[C@@H]1OC.
What is the InChIKey of (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene?
The InChIKey is UQUURSHZSJBTIE-BSJFJQEASA-N. The full InChI is InChI=1S/C14H16Cl2O2/c1-17-13-9(5-3-7-11(13)15)10-6-4-8-12(16)14(10)18-2/h3-10,13-14H,1-2H3/t9?,10?,13-,14?/m1/s1.
What are the key properties of (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene?
(6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene has a molecular weight of 287.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 90975876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).