9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene

C25H21ClO2 — CID 141154302

IUPAC9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene
SMILESC=C(Cc1c2ccccc2c(Cl)c2ccccc12)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H21ClO2/c1-16(17-12-13-23(27-2)24(15-17)28-3)14-22-18-8-4-6-10-20(18)25(26)21-11-7-5-9-19(21)22/h4-13,15H,1,14H2,2-3H3
InChIKeyCAWRRWABUZWSCD-UHFFFAOYSA-N
MW388.89 g/mol
LogP6.92
Rot. Bonds5

About 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene

9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene (PubChem CID 141154302) has the molecular formula C25H21ClO2 and a molecular weight of 388.89 g/mol. Its IUPAC name is 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene.

Molecular Properties

Compound Name9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene
PubChem CID141154302
Molecular FormulaC25H21ClO2
Molecular Weight388.89 g/mol
Exact Mass388.12
IUPAC Name9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene
SMILESC=C(Cc1c2ccccc2c(Cl)c2ccccc12)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H21ClO2/c1-16(17-12-13-23(27-2)24(15-17)28-3)14-22-18-8-4-6-10-20(18)25(26)21-11-7-5-9-19(21)22/h4-13,15H,1,14H2,2-3H3
InChIKeyCAWRRWABUZWSCD-UHFFFAOYSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.89
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene
CID 141154304
2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole
CID 141154301
5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole
CID 58549981
2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol
CID 141187863
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
6,13-bis[bis(3,4-dimethoxyphenyl)methylidene]pentacene
CID 156694270
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
[2,4-dichloro-3-(3,4-dimethoxybenzoyl)phenyl] 2-(2-methylphenyl)acetate
CID 54079399
(E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
CID 175786339
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
1-(3,4-dimethoxyphenyl)-2-methylprop-2-en-1-one
CID 79189812

Frequently Asked Questions

What is the IUPAC name of 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene?
The IUPAC name of 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene (CID 141154302) is 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene.
What is the SMILES notation for 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene?
The canonical SMILES for 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene is C=C(Cc1c2ccccc2c(Cl)c2ccccc12)c1ccc(OC)c(OC)c1.
What is the InChIKey of 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene?
The InChIKey is CAWRRWABUZWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClO2/c1-16(17-12-13-23(27-2)24(15-17)28-3)14-22-18-8-4-6-10-20(18)25(26)21-11-7-5-9-19(21)22/h4-13,15H,1,14H2,2-3H3.
What are the key properties of 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene?
9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene has a molecular weight of 388.89 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene is sourced from PubChem (CID 141154302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).