(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

C23H18Cl2O — CID 59770046

IUPAC(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCOc1cc(/C=C2/c3ccccc3CCc3c(Cl)cccc32)ccc1Cl
InChIInChI=1S/C23H18Cl2O/c1-26-23-14-15(9-12-22(23)25)13-20-17-6-3-2-5-16(17)10-11-19-18(20)7-4-8-21(19)24/h2-9,12-14H,10-11H2,1H3/b20-13-
InChIKeyMWAOBHBHUOEGOH-MOSHPQCFSA-N
MW381.30 g/mol
LogP6.69
Rot. Bonds2

About (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (PubChem CID 59770046) has the molecular formula C23H18Cl2O and a molecular weight of 381.30 g/mol. Its IUPAC name is (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
PubChem CID59770046
Molecular FormulaC23H18Cl2O
Molecular Weight381.30 g/mol
Exact Mass380.07
IUPAC Name(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCOc1cc(/C=C2/c3ccccc3CCc3c(Cl)cccc32)ccc1Cl
InChIInChI=1S/C23H18Cl2O/c1-26-23-14-15(9-12-22(23)25)13-20-17-6-3-2-5-16(17)10-11-19-18(20)7-4-8-21(19)24/h2-9,12-14H,10-11H2,1H3/b20-13-
InChIKeyMWAOBHBHUOEGOH-MOSHPQCFSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene with MolForge

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Related Compounds

3-[(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68942661
(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 58613380
2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770212
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
(2E)-2-[(3-chloro-4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 22918690
3-[(6-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]aniline
CID 68935761
2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde
CID 72556924
2-[(3-methylsulfanylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770332
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468152
2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol
CID 59770522
2-[[3-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770023
4-[(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68937460

Frequently Asked Questions

What is the IUPAC name of (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The IUPAC name of (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (CID 59770046) is (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
What is the SMILES notation for (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The canonical SMILES for (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is COc1cc(/C=C2/c3ccccc3CCc3c(Cl)cccc32)ccc1Cl.
What is the InChIKey of (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The InChIKey is MWAOBHBHUOEGOH-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H18Cl2O/c1-26-23-14-15(9-12-22(23)25)13-20-17-6-3-2-5-16(17)10-11-19-18(20)7-4-8-21(19)24/h2-9,12-14H,10-11H2,1H3/b20-13-.
What are the key properties of (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene has a molecular weight of 381.30 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59770046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).